This is an exemplary chemical topic model which is described in the paper "Chemical topic modeling: exploring chemical dataset using a common text-mining approach" By N.Schneider, N.Fechner, G.A. Landrum and N. Stiefl JCIM (2017) 10.1021/acs.jcim.7b00249.
import pandas as pd
import numpy as np
from collections import defaultdict
from IPython.display import display,HTML
import utilsInteractiveTM
from ChemTopicModel import chemTopicModel
data = pd.read_csv('data/datasetA_oneChemblIDforInteractiveModel.csv')
The topic model was generated for data set A using the following parameters:
numTopics = 60
chemblTopicModel=chemTopicModel.ChemTopicModel(sizeSampleDataSet=1.0, fragmentMethod='Morgan', rareThres=0.01,
commonThres=0.1, randomState=57)
chemblTopicModel.loadData(data)
chemblTopicModel.generateFragments()
chemblTopicModel.buildTopicModel(numTopics)
topicSVGs = ''
for topicID in range(numTopics):
tmp='<div id="Topic_{0}" style="display: none">'.format(topicID)
frags = utilsInteractiveTM.drawFragmentsbyTopic(chemblTopicModel, topicID, n_top_frags=8, numRowsShown=1.2,
numColumns=8, tableHeader='Top 8 fragments of topic '+str(topicID))
mols = utilsInteractiveTM.drawMolsByTopic(chemblTopicModel, topicID, idsLabelToShow=[0,2], topicProbThreshold = 0.1,
baseRad=0.9,numRowsShown=2, color=(0.7,0.7,0.99))
topicSVGs += (tmp+frags+mols+'</div>\n\n')
mydropdown = """
<script>
var oldVar = ''
function showMe(e) {
var strdisplay = e.options[e.selectedIndex].value;
if(strdisplay != oldVar && oldVar != '') {
var e = document.getElementById(oldVar);
e.style.display = "none";
}
var e = document.getElementById(strdisplay);
e.style.display = "block";
oldVar = strdisplay
}
</script>
<b>Select your topic to explore:</b> """
mydropdown+='<select onchange="showMe(this);">'
for i in range(numTopics):
mydropdown+='<option>Topic_{0}</option>'.format(i)
mydropdown+='</select></br></br>'
utilsInteractiveTM.showOverallStatistics(chemblTopicModel)
display(HTML(mydropdown+topicSVGs))
Score 0.19 | Score 0.10 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL1951340 | Cytochrome P450 3A4 | (p=0.96) | CHEMBL1951335 | Cytochrome P450 3A4 | (p=0.95) | CHEMBL1951334 | Cytochrome P450 3A4 | (p=0.95) | CHEMBL1951337 | Cytochrome P450 3A4 | (p=0.95) |
CHEMBL1951329 | Cytochrome P450 3A4 | (p=0.95) | CHEMBL1951332 | Cytochrome P450 3A4 | (p=0.95) | CHEMBL1951339 | Cytochrome P450 3A4 | (p=0.95) | CHEMBL1951326 | Cytochrome P450 3A4 | (p=0.94) |
CHEMBL1951328 | Cytochrome P450 3A4 | (p=0.94) | CHEMBL1951336 | Cytochrome P450 3A4 | (p=0.9) | CHEMBL1951325 | Cytochrome P450 3A4 | (p=0.88) | CHEMBL1951323 | Cytochrome P450 3A4 | (p=0.88) |
CHEMBL1951327 | Cytochrome P450 3A4 | (p=0.88) | CHEMBL1951324 | Cytochrome P450 3A4 | (p=0.83) | CHEMBL1951321 | Cytochrome P450 3A4 | (p=0.81) | CHEMBL1951445 | Cytochrome P450 3A4 | (p=0.81) |
CHEMBL1951446 | Cytochrome P450 3A4 | (p=0.81) | CHEMBL1951322 | Cytochrome P450 3A4 | (p=0.8) | CHEMBL1951338 | Cytochrome P450 3A4 | (p=0.77) | CHEMBL1951320 | Cytochrome P450 3A4 | (p=0.77) |
CHEMBL1951330 | Cytochrome P450 3A4 | (p=0.77) | CHEMBL1951341 | Cytochrome P450 3A4 | (p=0.74) | CHEMBL1951451 | Cytochrome P450 3A4 | (p=0.73) | CHEMBL1951347 | Cytochrome P450 3A4 | (p=0.73) |
CHEMBL1951345 | Cytochrome P450 3A4 | (p=0.73) | CHEMBL1951331 | Cytochrome P450 3A4 | (p=0.72) | CHEMBL1951448 | Cytochrome P450 3A4 | (p=0.7) | CHEMBL1951452 | Cytochrome P450 3A4 | (p=0.69) |
CHEMBL1951444 | Cytochrome P450 3A4 | (p=0.69) | CHEMBL1951447 | Cytochrome P450 3A4 | (p=0.69) | CHEMBL1951450 | Cytochrome P450 3A4 | (p=0.69) | CHEMBL1951342 | Cytochrome P450 3A4 | (p=0.68) |
CHEMBL1951449 | Cytochrome P450 3A4 | (p=0.65) | CHEMBL1951343 | Cytochrome P450 3A4 | (p=0.63) | CHEMBL1614844 | Carbonic anhydrase XII | (p=0.63) | CHEMBL1951344 | Cytochrome P450 3A4 | (p=0.62) |
CHEMBL1951443 | Cytochrome P450 3A4 | (p=0.53) | CHEMBL1643292 | Carbonic anhydrase XII | (p=0.5) | CHEMBL1643307 | Carbonic anhydrase XII | (p=0.5) | CHEMBL25600 | Carbonic anhydrase XII | (p=0.45) |
CHEMBL1643299 | Carbonic anhydrase XII | (p=0.43) | CHEMBL1643297 | Carbonic anhydrase XII | (p=0.43) | CHEMBL1615281 | Carbonic anhydrase XII | (p=0.43) | CHEMBL316779 | Carbonic anhydrase XII | (p=0.4) |
CHEMBL1643306 | Carbonic anhydrase XII | (p=0.38) | CHEMBL1643291 | Carbonic anhydrase XII | (p=0.38) | CHEMBL1643296 | Carbonic anhydrase XII | (p=0.38) | CHEMBL1643295 | Carbonic anhydrase XII | (p=0.38) |
CHEMBL1110 | HERG | (p=0.34) | CHEMBL1615280 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1643300 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1446150 | Carbonic anhydrase XII | (p=0.34) |
CHEMBL1643298 | Carbonic anhydrase XII | (p=0.3) | CHEMBL1643303 | Carbonic anhydrase XII | (p=0.3) | CHEMBL1337519 | Carbonic anhydrase XII | (p=0.3) | CHEMBL1643302 | Carbonic anhydrase XII | (p=0.3) |
CHEMBL1643301 | Carbonic anhydrase XII | (p=0.29) | CHEMBL1643293 | Carbonic anhydrase XII | (p=0.27) | CHEMBL1643305 | Carbonic anhydrase XII | (p=0.27) | CHEMBL1643294 | Carbonic anhydrase XII | (p=0.25) |
CHEMBL1643304 | Carbonic anhydrase XII | (p=0.22) | CHEMBL416146 | Cyclooxygenase-2 | (p=0.2) | CHEMBL6633 | Carbonic anhydrase IX | (p=0.2) | CHEMBL1615215 | Carbonic anhydrase XII | (p=0.15) |
CHEMBL1643289 | Carbonic anhydrase XII | (p=0.13) | CHEMBL1643290 | Carbonic anhydrase XII | (p=0.13) |
Score 0.10 | Score 0.10 | Score 0.10 | Score 0.08 | Score 0.08 | Score 0.07 | Score 0.06 | Score 0.05 |
CHEMBL1093894 | Muscarinic acetylcholine receptor M1 | (p=0.93) | CHEMBL1091967 | Muscarinic acetylcholine receptor M1 | (p=0.93) | CHEMBL1093896 | Muscarinic acetylcholine receptor M1 | (p=0.93) | CHEMBL1093022 | Muscarinic acetylcholine receptor M1 | (p=0.93) |
CHEMBL1091548 | Muscarinic acetylcholine receptor M1 | (p=0.92) | CHEMBL1091611 | Muscarinic acetylcholine receptor M1 | (p=0.92) | CHEMBL1093810 | Muscarinic acetylcholine receptor M1 | (p=0.88) | CHEMBL1093895 | Muscarinic acetylcholine receptor M1 | (p=0.86) |
CHEMBL1093483 | Muscarinic acetylcholine receptor M1 | (p=0.82) | CHEMBL1091968 | Muscarinic acetylcholine receptor M1 | (p=0.82) | CHEMBL1093482 | Muscarinic acetylcholine receptor M1 | (p=0.75) | CHEMBL1090103 | Muscarinic acetylcholine receptor M1 | (p=0.72) |
CHEMBL1093539 | Muscarinic acetylcholine receptor M1 | (p=0.7) | CHEMBL1092430 | Muscarinic acetylcholine receptor M1 | (p=0.67) | CHEMBL1092988 | Muscarinic acetylcholine receptor M1 | (p=0.56) | CHEMBL1092987 | Muscarinic acetylcholine receptor M1 | (p=0.56) |
CHEMBL1093224 | Muscarinic acetylcholine receptor M1 | (p=0.56) | CHEMBL1090106 | Muscarinic acetylcholine receptor M1 | (p=0.56) | CHEMBL1091392 | Muscarinic acetylcholine receptor M1 | (p=0.51) | CHEMBL1090105 | Muscarinic acetylcholine receptor M1 | (p=0.51) |
CHEMBL1090104 | Muscarinic acetylcholine receptor M1 | (p=0.51) | CHEMBL608112 | Muscarinic acetylcholine receptor M1 | (p=0.5) | CHEMBL1089453 | Muscarinic acetylcholine receptor M1 | (p=0.47) | CHEMBL609602 | Muscarinic acetylcholine receptor M1 | (p=0.47) |
CHEMBL1089771 | Muscarinic acetylcholine receptor M1 | (p=0.46) | CHEMBL1091236 | Muscarinic acetylcholine receptor M1 | (p=0.44) | CHEMBL1093538 | Muscarinic acetylcholine receptor M1 | (p=0.44) | CHEMBL1093238 | Muscarinic acetylcholine receptor M1 | (p=0.44) |
CHEMBL1092849 | Muscarinic acetylcholine receptor M1 | (p=0.44) | CHEMBL1093126 | Muscarinic acetylcholine receptor M1 | (p=0.37) | CHEMBL416146 | Cyclooxygenase-2 | (p=0.2) | CHEMBL317520 | HERG | (p=0.17) |
CHEMBL475943 | Cytochrome P450 19A1 | (p=0.13) | CHEMBL514514 | Cytochrome P450 19A1 | (p=0.12) |
Score 0.19 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL359510 | Alpha-2a adrenergic receptor | (p=0.96) | CHEMBL362400 | Alpha-2a adrenergic receptor | (p=0.96) | CHEMBL181632 | Alpha-2a adrenergic receptor | (p=0.96) | CHEMBL181383 | Alpha-2a adrenergic receptor | (p=0.95) |
CHEMBL180962 | Alpha-2a adrenergic receptor | (p=0.91) | CHEMBL362193 | Alpha-2a adrenergic receptor | (p=0.91) | CHEMBL182150 | Alpha-2a adrenergic receptor | (p=0.87) | CHEMBL179878 | Alpha-2a adrenergic receptor | (p=0.87) |
CHEMBL360081 | Alpha-2a adrenergic receptor | (p=0.86) | CHEMBL360159 | Alpha-2a adrenergic receptor | (p=0.85) | CHEMBL181099 | Alpha-2a adrenergic receptor | (p=0.83) | CHEMBL361442 | Alpha-2a adrenergic receptor | (p=0.8) |
CHEMBL181184 | Alpha-2a adrenergic receptor | (p=0.65) | CHEMBL180003 | Alpha-2a adrenergic receptor | (p=0.65) | CHEMBL178084 | Alpha-2a adrenergic receptor | (p=0.6) | CHEMBL360671 | Alpha-2a adrenergic receptor | (p=0.51) |
CHEMBL181217 | Alpha-2a adrenergic receptor | (p=0.47) | CHEMBL181393 | Alpha-2a adrenergic receptor | (p=0.44) | CHEMBL181466 | Alpha-2a adrenergic receptor | (p=0.44) | CHEMBL360876 | Alpha-2a adrenergic receptor | (p=0.41) |
CHEMBL1615215 | Carbonic anhydrase XII | (p=0.15) | CHEMBL1951341 | Cytochrome P450 3A4 | (p=0.14) |
Score 0.08 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.05 | Score 0.04 | Score 0.04 |
CHEMBL257645 | Beta-secretase 1 | (p=0.97) | CHEMBL399979 | Beta-secretase 1 | (p=0.96) | CHEMBL257278 | Beta-secretase 1 | (p=0.96) | CHEMBL256676 | Beta-secretase 1 | (p=0.96) |
CHEMBL401527 | Beta-secretase 1 | (p=0.96) | CHEMBL256372 | Beta-secretase 1 | (p=0.96) | CHEMBL258083 | Beta-secretase 1 | (p=0.96) | CHEMBL255372 | Beta-secretase 1 | (p=0.96) |
CHEMBL270153 | Beta-secretase 1 | (p=0.96) | CHEMBL404680 | Beta-secretase 1 | (p=0.96) | CHEMBL272320 | Beta-secretase 1 | (p=0.96) | CHEMBL256434 | Beta-secretase 1 | (p=0.96) |
CHEMBL404078 | Beta-secretase 1 | (p=0.93) | CHEMBL255194 | Beta-secretase 1 | (p=0.9) | CHEMBL270359 | Beta-secretase 1 | (p=0.89) | CHEMBL257091 | Beta-secretase 1 | (p=0.87) |
CHEMBL256904 | Beta-secretase 1 | (p=0.87) | CHEMBL428074 | Beta-secretase 1 | (p=0.87) | CHEMBL403727 | Beta-secretase 1 | (p=0.86) | CHEMBL257907 | Beta-secretase 1 | (p=0.84) |
CHEMBL402276 | Beta-secretase 1 | (p=0.82) | CHEMBL257087 | Beta-secretase 1 | (p=0.82) | CHEMBL257735 | Beta-secretase 1 | (p=0.81) | CHEMBL1173429 | Norepinephrine transporter | (p=0.3) |
CHEMBL1643306 | Carbonic anhydrase XII | (p=0.25) | CHEMBL397239 | Glucocorticoid receptor | (p=0.1) |
Score 0.10 | Score 0.10 | Score 0.07 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL367355 | Alpha-2a adrenergic receptor | (p=0.96) | CHEMBL360117 | Alpha-2a adrenergic receptor | (p=0.96) | CHEMBL182235 | Alpha-2a adrenergic receptor | (p=0.95) | CHEMBL537846 | Alpha-2a adrenergic receptor | (p=0.95) |
CHEMBL181727 | Alpha-2a adrenergic receptor | (p=0.95) | CHEMBL181466 | Alpha-2a adrenergic receptor | (p=0.52) | CHEMBL181393 | Alpha-2a adrenergic receptor | (p=0.52) | CHEMBL181217 | Alpha-2a adrenergic receptor | (p=0.49) |
CHEMBL360876 | Alpha-2a adrenergic receptor | (p=0.44) | CHEMBL360671 | Alpha-2a adrenergic receptor | (p=0.43) | CHEMBL178084 | Alpha-2a adrenergic receptor | (p=0.35) | CHEMBL181184 | Alpha-2a adrenergic receptor | (p=0.31) |
CHEMBL180003 | Alpha-2a adrenergic receptor | (p=0.31) | CHEMBL1643291 | Carbonic anhydrase XII | (p=0.25) | CHEMBL200018 | MAP kinase p38 alpha | (p=0.25) | CHEMBL199316 | MAP kinase p38 alpha | (p=0.25) |
CHEMBL199484 | MAP kinase p38 alpha | (p=0.24) | CHEMBL199680 | MAP kinase p38 alpha | (p=0.23) | CHEMBL199679 | MAP kinase p38 alpha | (p=0.23) | CHEMBL199632 | MAP kinase p38 alpha | (p=0.23) |
CHEMBL200047 | MAP kinase p38 alpha | (p=0.23) | CHEMBL381632 | MAP kinase p38 alpha | (p=0.21) | CHEMBL24828 | Vascular endothelial growth factor receptor 2 | (p=0.18) | CHEMBL563322 | Cyclooxygenase-2 | (p=0.16) |
CHEMBL199701 | MAP kinase p38 alpha | (p=0.14) | CHEMBL199227 | Matrix metalloproteinase-2 | (p=0.13) | CHEMBL200093 | MAP kinase p38 alpha | (p=0.13) | CHEMBL380806 | MAP kinase p38 alpha | (p=0.13) |
CHEMBL1951452 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1951321 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL373217 | Matrix metalloproteinase-2 | (p=0.13) | CHEMBL550473 | Cyclooxygenase-2 | (p=0.12) |
CHEMBL1165719 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.11) | CHEMBL1173276 | Norepinephrine transporter | (p=0.1) |
Score 0.23 | Score 0.20 | Score 0.13 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.03 |
CHEMBL6685 | Carbonic anhydrase IX | (p=0.75) | CHEMBL1163951 | Carbonic anhydrase I | (p=0.34) | CHEMBL513903 | Cannabinoid CB2 receptor | (p=0.17) | CHEMBL477994 | Cannabinoid CB2 receptor | (p=0.13) |
CHEMBL514706 | Cannabinoid CB2 receptor | (p=0.13) | CHEMBL477993 | Cannabinoid CB2 receptor | (p=0.13) | CHEMBL476110 | Cannabinoid CB2 receptor | (p=0.12) | CHEMBL202011 | Vascular endothelial growth factor receptor 2 | (p=0.11) |
CHEMBL476947 | Cannabinoid CB2 receptor | (p=0.1) |
Score 0.14 | Score 0.11 | Score 0.09 | Score 0.09 | Score 0.09 | Score 0.08 | Score 0.08 | Score 0.08 |
CHEMBL1093132 | Vanilloid receptor | (p=0.93) | CHEMBL1089119 | Vanilloid receptor | (p=0.92) | CHEMBL1089117 | Vanilloid receptor | (p=0.85) | CHEMBL456571 | Vanilloid receptor | (p=0.84) |
CHEMBL1089118 | Vanilloid receptor | (p=0.79) | CHEMBL1092544 | Vanilloid receptor | (p=0.78) | CHEMBL1089452 | Vanilloid receptor | (p=0.78) | CHEMBL1092545 | Vanilloid receptor | (p=0.76) |
CHEMBL497650 | Vanilloid receptor | (p=0.72) | CHEMBL1092192 | Vanilloid receptor | (p=0.7) | CHEMBL214796 | Vanilloid receptor | (p=0.7) | CHEMBL214607 | Vanilloid receptor | (p=0.67) |
CHEMBL1092852 | Vanilloid receptor | (p=0.65) | CHEMBL1204401 | Vanilloid receptor | (p=0.64) | CHEMBL1092853 | Vanilloid receptor | (p=0.63) | CHEMBL1093131 | Vanilloid receptor | (p=0.63) |
CHEMBL1089824 | Vanilloid receptor | (p=0.62) | CHEMBL378563 | Vanilloid receptor | (p=0.61) | CHEMBL582965 | Carbonic anhydrase II | (p=0.29) | CHEMBL1173600 | Norepinephrine transporter | (p=0.25) |
CHEMBL1089453 | Muscarinic acetylcholine receptor M1 | (p=0.16) | CHEMBL469325 | Dipeptidyl peptidase IV | (p=0.12) |
Score 0.33 | Score 0.33 | Score 0.04 | Score 0.03 |
CHEMBL894 | Norepinephrine transporter | (p=0.75) | CHEMBL1171260 | Norepinephrine transporter | (p=0.34) | CHEMBL317520 | HERG | (p=0.26) | CHEMBL1173597 | Norepinephrine transporter | (p=0.25) |
CHEMBL1173772 | Norepinephrine transporter | (p=0.25) | CHEMBL1172928 | Norepinephrine transporter | (p=0.18) | CHEMBL1933410 | Serotonin 2a (5-HT2a) receptor | (p=0.18) | CHEMBL1163672 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.13) |
CHEMBL1951324 | Cytochrome P450 3A4 | (p=0.11) |
Score 0.07 | Score 0.07 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.04 |
CHEMBL478203 | Cannabinoid CB2 receptor | (p=0.96) | CHEMBL477796 | Cannabinoid CB2 receptor | (p=0.95) | CHEMBL477797 | Cannabinoid CB2 receptor | (p=0.95) | CHEMBL514543 | Cannabinoid CB2 receptor | (p=0.95) |
CHEMBL511258 | Cannabinoid CB2 receptor | (p=0.94) | CHEMBL467557 | Cannabinoid CB2 receptor | (p=0.91) | CHEMBL478202 | Cannabinoid CB2 receptor | (p=0.89) | CHEMBL468176 | Cannabinoid CB2 receptor | (p=0.88) |
CHEMBL468175 | Cannabinoid CB2 receptor | (p=0.87) | CHEMBL512108 | Cannabinoid CB2 receptor | (p=0.87) | CHEMBL467392 | Cannabinoid CB2 receptor | (p=0.85) | CHEMBL478204 | Cannabinoid CB2 receptor | (p=0.84) |
CHEMBL469040 | Cannabinoid CB2 receptor | (p=0.83) | CHEMBL476110 | Cannabinoid CB2 receptor | (p=0.82) | CHEMBL467391 | Cannabinoid CB2 receptor | (p=0.82) | CHEMBL512121 | Cannabinoid CB2 receptor | (p=0.82) |
CHEMBL479056 | Cannabinoid CB2 receptor | (p=0.81) | CHEMBL477994 | Cannabinoid CB2 receptor | (p=0.8) | CHEMBL514706 | Cannabinoid CB2 receptor | (p=0.8) | CHEMBL477993 | Cannabinoid CB2 receptor | (p=0.8) |
CHEMBL469006 | Cannabinoid CB2 receptor | (p=0.8) | CHEMBL476102 | Cannabinoid CB2 receptor | (p=0.79) | CHEMBL513903 | Cannabinoid CB2 receptor | (p=0.78) | CHEMBL476947 | Cannabinoid CB2 receptor | (p=0.75) |
CHEMBL476100 | Cannabinoid CB2 receptor | (p=0.66) | CHEMBL202011 | Vascular endothelial growth factor receptor 2 | (p=0.26) | CHEMBL1164911 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.13) |
Score 0.08 | Score 0.08 | Score 0.08 | Score 0.08 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 |
CHEMBL182431 | Serotonin transporter | (p=0.97) | CHEMBL363507 | Serotonin transporter | (p=0.96) | CHEMBL363320 | Serotonin transporter | (p=0.96) | CHEMBL185540 | Serotonin transporter | (p=0.96) |
CHEMBL185395 | Serotonin transporter | (p=0.93) | CHEMBL433956 | Serotonin transporter | (p=0.93) | CHEMBL362716 | Serotonin transporter | (p=0.93) | CHEMBL360790 | Serotonin transporter | (p=0.91) |
CHEMBL363328 | Serotonin transporter | (p=0.9) | CHEMBL362143 | Serotonin transporter | (p=0.9) | CHEMBL184252 | Serotonin transporter | (p=0.89) | CHEMBL362298 | Serotonin transporter | (p=0.89) |
CHEMBL184713 | Serotonin transporter | (p=0.89) | CHEMBL434728 | Serotonin transporter | (p=0.87) | CHEMBL363768 | Serotonin transporter | (p=0.86) | CHEMBL183550 | Serotonin transporter | (p=0.86) |
CHEMBL361836 | Serotonin transporter | (p=0.84) | CHEMBL185025 | Serotonin transporter | (p=0.83) | CHEMBL362363 | Serotonin transporter | (p=0.79) | CHEMBL184910 | Serotonin transporter | (p=0.74) |
CHEMBL180899 | Serotonin transporter | (p=0.65) | CHEMBL184571 | Serotonin transporter | (p=0.54) |
Score 0.32 | Score 0.18 | Score 0.14 | Score 0.09 | Score 0.09 | Score 0.02 | Score 0.02 |
CHEMBL1091236 | Muscarinic acetylcholine receptor M1 | (p=0.48) | CHEMBL1093238 | Muscarinic acetylcholine receptor M1 | (p=0.48) | CHEMBL1093538 | Muscarinic acetylcholine receptor M1 | (p=0.48) | CHEMBL1110 | HERG | (p=0.34) |
CHEMBL1093126 | Muscarinic acetylcholine receptor M1 | (p=0.28) | CHEMBL378165 | Vascular endothelial growth factor receptor 2 | (p=0.23) | CHEMBL1093224 | Muscarinic acetylcholine receptor M1 | (p=0.19) | CHEMBL1092987 | Muscarinic acetylcholine receptor M1 | (p=0.19) |
CHEMBL1092988 | Muscarinic acetylcholine receptor M1 | (p=0.19) | CHEMBL77517 | Carbonic anhydrase I | (p=0.17) | CHEMBL12713 | HERG | (p=0.17) | CHEMBL608112 | Muscarinic acetylcholine receptor M1 | (p=0.17) |
CHEMBL101253 | Vascular endothelial growth factor receptor 2 | (p=0.16) | CHEMBL609602 | Muscarinic acetylcholine receptor M1 | (p=0.14) | CHEMBL708 | HERG | (p=0.13) |
Score 0.09 | Score 0.08 | Score 0.08 | Score 0.08 | Score 0.05 | Score 0.04 | Score 0.04 | Score 0.04 |
CHEMBL494483 | Serotonin 1a (5-HT1a) receptor | (p=0.97) | CHEMBL520753 | Serotonin 1a (5-HT1a) receptor | (p=0.97) | CHEMBL359495 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL481754 | Serotonin 1a (5-HT1a) receptor | (p=0.96) |
CHEMBL494468 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL481109 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL493684 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL480935 | Serotonin 1a (5-HT1a) receptor | (p=0.96) |
CHEMBL481940 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL494688 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL481113 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL481747 | Serotonin 1a (5-HT1a) receptor | (p=0.96) |
CHEMBL522529 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL479782 | Serotonin 1a (5-HT1a) receptor | (p=0.96) | CHEMBL520265 | Serotonin 1a (5-HT1a) receptor | (p=0.95) | CHEMBL519616 | Serotonin 1a (5-HT1a) receptor | (p=0.95) |
CHEMBL494077 | Serotonin 1a (5-HT1a) receptor | (p=0.92) | CHEMBL522671 | Serotonin 1a (5-HT1a) receptor | (p=0.92) | CHEMBL519445 | Serotonin 1a (5-HT1a) receptor | (p=0.9) | CHEMBL479986 | Serotonin 1a (5-HT1a) receptor | (p=0.87) |
CHEMBL517996 | Serotonin 1a (5-HT1a) receptor | (p=0.87) | CHEMBL481140 | Serotonin 1a (5-HT1a) receptor | (p=0.87) | CHEMBL481126 | Serotonin 1a (5-HT1a) receptor | (p=0.83) | CHEMBL398338 | Vanilloid receptor | (p=0.2) |
CHEMBL1951344 | Cytochrome P450 3A4 | (p=0.16) | CHEMBL479056 | Cannabinoid CB2 receptor | (p=0.1) | CHEMBL217207 | Melanin-concentrating hormone receptor 1 | (p=0.1) |
Score 0.08 | Score 0.08 | Score 0.08 | Score 0.08 | Score 0.07 | Score 0.07 | Score 0.06 | Score 0.06 |
CHEMBL1083216 | Beta-2 adrenergic receptor | (p=0.95) | CHEMBL1084137 | Beta-2 adrenergic receptor | (p=0.95) | CHEMBL1078576 | Beta-2 adrenergic receptor | (p=0.94) | CHEMBL1090746 | Beta-2 adrenergic receptor | (p=0.94) |
CHEMBL1090425 | Beta-2 adrenergic receptor | (p=0.93) | CHEMBL1077273 | Beta-2 adrenergic receptor | (p=0.93) | CHEMBL1084145 | Beta-2 adrenergic receptor | (p=0.93) | CHEMBL1085444 | Beta-2 adrenergic receptor | (p=0.93) |
CHEMBL1078496 | Beta-2 adrenergic receptor | (p=0.89) | CHEMBL1078395 | Beta-2 adrenergic receptor | (p=0.88) | CHEMBL1089396 | Beta-2 adrenergic receptor | (p=0.83) | CHEMBL1089725 | Beta-2 adrenergic receptor | (p=0.82) |
CHEMBL1086149 | Beta-2 adrenergic receptor | (p=0.82) | CHEMBL1085693 | Beta-2 adrenergic receptor | (p=0.81) | CHEMBL1078749 | Beta-2 adrenergic receptor | (p=0.81) | CHEMBL1078465 | Beta-2 adrenergic receptor | (p=0.8) |
CHEMBL1078495 | Beta-2 adrenergic receptor | (p=0.79) | CHEMBL1089735 | Beta-2 adrenergic receptor | (p=0.75) | CHEMBL1083832 | Beta-2 adrenergic receptor | (p=0.75) | CHEMBL1078695 | Beta-2 adrenergic receptor | (p=0.71) |
CHEMBL111201 | Beta-2 adrenergic receptor | (p=0.68) | CHEMBL1089734 | Beta-2 adrenergic receptor | (p=0.66) | CHEMBL1643290 | Carbonic anhydrase XII | (p=0.5) | CHEMBL7146 | Carbonic anhydrase IX | (p=0.24) |
CHEMBL1093482 | Muscarinic acetylcholine receptor M1 | (p=0.19) | CHEMBL1093539 | Muscarinic acetylcholine receptor M1 | (p=0.17) | CHEMBL1165061 | Carbonic anhydrase I | (p=0.17) | CHEMBL1951449 | Cytochrome P450 3A4 | (p=0.16) |
CHEMBL573859 | Carbonic anhydrase II | (p=0.16) | CHEMBL479952 | Serotonin 2c (5-HT2c) receptor | (p=0.12) | CHEMBL573381 | Carbonic anhydrase II | (p=0.12) | CHEMBL491097 | Adenosine A1 receptor | (p=0.12) |
CHEMBL209267 | C-C chemokine receptor type 2 | (p=0.12) | CHEMBL516556 | Adenosine A1 receptor | (p=0.11) | CHEMBL212423 | C-C chemokine receptor type 2 | (p=0.11) |
Score 0.52 | Score 0.21 | Score 0.04 | Score 0.04 | Score 0.02 |
CHEMBL118 | Cyclooxygenase-2 | (p=0.67) | CHEMBL1170441 | Norepinephrine transporter | (p=0.3) | CHEMBL210537 | HERG | (p=0.27) | CHEMBL559613 | Cyclooxygenase-2 | (p=0.24) |
CHEMBL1933399 | Serotonin 2a (5-HT2a) receptor | (p=0.23) | CHEMBL209324 | HERG | (p=0.22) | CHEMBL560887 | Cyclooxygenase-2 | (p=0.22) | CHEMBL522089 | Cytochrome P450 19A1 | (p=0.17) |
CHEMBL490187 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL1164556 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.16) |
Score 0.22 | Score 0.21 | Score 0.17 | Score 0.10 | Score 0.09 | Score 0.07 | Score 0.02 | Score 0.02 |
CHEMBL478024 | Cytochrome P450 19A1 | (p=0.88) | CHEMBL17157 | HERG | (p=0.82) | CHEMBL85 | HERG | (p=0.63) | CHEMBL1621 | HERG | (p=0.63) |
CHEMBL517816 | Cytochrome P450 19A1 | (p=0.55) | CHEMBL12713 | HERG | (p=0.42) | CHEMBL398338 | Vanilloid receptor | (p=0.4) | CHEMBL211106 | C-C chemokine receptor type 2 | (p=0.36) |
CHEMBL1617116 | Serotonin 2a (5-HT2a) receptor | (p=0.29) | CHEMBL536480 | HERG | (p=0.27) | CHEMBL523973 | Cytochrome P450 19A1 | (p=0.24) | CHEMBL491825 | Cytochrome P450 19A1 | (p=0.23) |
CHEMBL1423 | HERG | (p=0.22) | CHEMBL516275 | Cytochrome P450 19A1 | (p=0.22) | CHEMBL478647 | Cytochrome P450 19A1 | (p=0.22) | CHEMBL212423 | C-C chemokine receptor type 2 | (p=0.22) |
CHEMBL491023 | Cytochrome P450 19A1 | (p=0.21) | CHEMBL384368 | C-C chemokine receptor type 2 | (p=0.16) | CHEMBL203731 | Vascular endothelial growth factor receptor 2 | (p=0.16) | CHEMBL209899 | C-C chemokine receptor type 2 | (p=0.16) |
CHEMBL215515 | C-C chemokine receptor type 2 | (p=0.16) | CHEMBL231798 | Glucocorticoid receptor | (p=0.12) | CHEMBL1729 | HERG | (p=0.11) | CHEMBL424666 | MAP kinase p38 alpha | (p=0.11) |
CHEMBL360876 | Alpha-2a adrenergic receptor | (p=0.1) | CHEMBL199625 | MAP kinase p38 alpha | (p=0.1) |
Score 0.12 | Score 0.09 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.04 | Score 0.04 |
CHEMBL464928 | Adenosine A1 receptor | (p=0.96) | CHEMBL465538 | Adenosine A1 receptor | (p=0.96) | CHEMBL491310 | Adenosine A1 receptor | (p=0.96) | CHEMBL491318 | Adenosine A1 receptor | (p=0.96) |
CHEMBL491285 | Adenosine A1 receptor | (p=0.96) | CHEMBL491321 | Adenosine A1 receptor | (p=0.95) | CHEMBL491317 | Adenosine A1 receptor | (p=0.95) | CHEMBL523815 | Adenosine A1 receptor | (p=0.88) |
CHEMBL522462 | Adenosine A1 receptor | (p=0.83) | CHEMBL516556 | Adenosine A1 receptor | (p=0.82) | CHEMBL521785 | Adenosine A1 receptor | (p=0.81) | CHEMBL522268 | Adenosine A1 receptor | (p=0.81) |
CHEMBL491097 | Adenosine A1 receptor | (p=0.8) | CHEMBL465338 | Adenosine A1 receptor | (p=0.73) | CHEMBL491311 | Adenosine A1 receptor | (p=0.63) | CHEMBL489126 | Adenosine A1 receptor | (p=0.62) |
CHEMBL489321 | Adenosine A1 receptor | (p=0.36) | CHEMBL521742 | Adenosine A1 receptor | (p=0.12) | CHEMBL200534 | MAP kinase p38 alpha | (p=0.11) |
Score 0.19 | Score 0.17 | Score 0.14 | Score 0.09 | Score 0.08 | Score 0.08 | Score 0.04 | Score 0.03 |
CHEMBL153843 | Vascular endothelial growth factor receptor 2 | (p=0.73) | CHEMBL202011 | Vascular endothelial growth factor receptor 2 | (p=0.58) | CHEMBL398338 | Vanilloid receptor | (p=0.2) | CHEMBL574245 | Carbonic anhydrase II | (p=0.2) |
CHEMBL573381 | Carbonic anhydrase II | (p=0.2) | CHEMBL101253 | Vascular endothelial growth factor receptor 2 | (p=0.18) | CHEMBL77517 | Carbonic anhydrase I | (p=0.17) | CHEMBL1615280 | Carbonic anhydrase XII | (p=0.17) |
CHEMBL465338 | Adenosine A1 receptor | (p=0.16) | CHEMBL1643301 | Carbonic anhydrase XII | (p=0.15) | CHEMBL551148 | Cyclooxygenase-2 | (p=0.14) | CHEMBL551829 | Cyclooxygenase-2 | (p=0.13) |
CHEMBL1643289 | Carbonic anhydrase XII | (p=0.13) | CHEMBL1643294 | Carbonic anhydrase XII | (p=0.13) | CHEMBL574783 | Carbonic anhydrase II | (p=0.11) | CHEMBL574779 | Carbonic anhydrase II | (p=0.11) |
CHEMBL1643303 | Carbonic anhydrase XII | (p=0.1) |
Score 0.35 | Score 0.30 | Score 0.03 |
CHEMBL25600 | Carbonic anhydrase XII | (p=0.18) | CHEMBL561950 | Cyclooxygenase-2 | (p=0.16) |
Score 0.26 | Score 0.21 | Score 0.12 | Score 0.12 | Score 0.09 | Score 0.06 | Score 0.05 | Score 0.01 |
CHEMBL9298 | Cytochrome P450 19A1 | (p=0.42) | CHEMBL1643300 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1164572 | Carbonic anhydrase I | (p=0.3) | CHEMBL26 | Dopamine D3 receptor | (p=0.25) |
CHEMBL1643294 | Carbonic anhydrase XII | (p=0.25) | CHEMBL317520 | HERG | (p=0.25) | CHEMBL1774543 | Dopamine D3 receptor | (p=0.24) | CHEMBL31354 | Serotonin 1a (5-HT1a) receptor | (p=0.24) |
CHEMBL1774547 | Dopamine D3 receptor | (p=0.22) | CHEMBL209324 | HERG | (p=0.22) | CHEMBL1774538 | Dopamine D3 receptor | (p=0.21) | CHEMBL1774534 | Dopamine D3 receptor | (p=0.21) |
CHEMBL1774540 | Dopamine D3 receptor | (p=0.19) | CHEMBL25236 | Dopamine D3 receptor | (p=0.19) | CHEMBL1774385 | Dopamine D3 receptor | (p=0.19) | CHEMBL521600 | Cytochrome P450 19A1 | (p=0.18) |
CHEMBL1774532 | Dopamine D3 receptor | (p=0.17) | CHEMBL1774545 | Dopamine D3 receptor | (p=0.17) | CHEMBL491214 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL1165321 | Carbonic anhydrase I | (p=0.17) |
CHEMBL1774383 | Dopamine D3 receptor | (p=0.17) | CHEMBL1951444 | Cytochrome P450 3A4 | (p=0.16) | CHEMBL1774536 | Dopamine D3 receptor | (p=0.14) | CHEMBL362791 | Matrix metalloproteinase-2 | (p=0.13) |
CHEMBL1729 | HERG | (p=0.11) | CHEMBL370351 | Matrix metalloproteinase-2 | (p=0.11) | CHEMBL363768 | Serotonin transporter | (p=0.1) | CHEMBL257735 | Beta-secretase 1 | (p=0.1) |
CHEMBL434728 | Serotonin transporter | (p=0.1) |
Score 0.12 | Score 0.09 | Score 0.07 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL381201 | MAP kinase p38 alpha | (p=0.96) | CHEMBL199435 | MAP kinase p38 alpha | (p=0.95) | CHEMBL199593 | MAP kinase p38 alpha | (p=0.95) | CHEMBL369989 | MAP kinase p38 alpha | (p=0.95) |
CHEMBL199707 | MAP kinase p38 alpha | (p=0.9) | CHEMBL199291 | MAP kinase p38 alpha | (p=0.86) | CHEMBL199625 | MAP kinase p38 alpha | (p=0.85) | CHEMBL200534 | MAP kinase p38 alpha | (p=0.83) |
CHEMBL199701 | MAP kinase p38 alpha | (p=0.81) | CHEMBL424666 | MAP kinase p38 alpha | (p=0.79) | CHEMBL381632 | MAP kinase p38 alpha | (p=0.75) | CHEMBL380806 | MAP kinase p38 alpha | (p=0.74) |
CHEMBL200093 | MAP kinase p38 alpha | (p=0.74) | CHEMBL200047 | MAP kinase p38 alpha | (p=0.73) | CHEMBL199632 | MAP kinase p38 alpha | (p=0.73) | CHEMBL199679 | MAP kinase p38 alpha | (p=0.73) |
CHEMBL199316 | MAP kinase p38 alpha | (p=0.71) | CHEMBL200018 | MAP kinase p38 alpha | (p=0.71) | CHEMBL199680 | MAP kinase p38 alpha | (p=0.69) | CHEMBL199484 | MAP kinase p38 alpha | (p=0.64) |
CHEMBL1621 | HERG | (p=0.25) | CHEMBL85 | HERG | (p=0.25) | CHEMBL1933413 | Serotonin 2a (5-HT2a) receptor | (p=0.11) | CHEMBL229430 | Vanilloid receptor | (p=0.1) |
Score 0.63 |
CHEMBL6633 | Carbonic anhydrase IX | (p=0.2) |
Score 0.18 | Score 0.12 | Score 0.11 | Score 0.10 | Score 0.07 | Score 0.07 | Score 0.06 | Score 0.04 |
CHEMBL214431 | Cathepsin S | (p=0.96) | CHEMBL386640 | Cathepsin S | (p=0.95) | CHEMBL213716 | Cathepsin S | (p=0.95) | CHEMBL214591 | Cathepsin S | (p=0.86) |
CHEMBL214327 | Cathepsin S | (p=0.75) | CHEMBL386351 | Cathepsin S | (p=0.74) | CHEMBL214982 | Cathepsin S | (p=0.74) | CHEMBL217818 | Cathepsin S | (p=0.7) |
CHEMBL383968 | Cathepsin S | (p=0.65) | CHEMBL217136 | Cathepsin S | (p=0.63) | CHEMBL424718 | Cathepsin S | (p=0.51) | CHEMBL214328 | Cathepsin S | (p=0.49) |
CHEMBL424894 | Cathepsin S | (p=0.41) | CHEMBL558929 | Cyclooxygenase-2 | (p=0.33) | CHEMBL209821 | HERG | (p=0.31) | CHEMBL564729 | Cyclooxygenase-2 | (p=0.29) |
CHEMBL1615215 | Carbonic anhydrase XII | (p=0.29) | CHEMBL551419 | Cyclooxygenase-2 | (p=0.26) | CHEMBL1088 | HERG | (p=0.25) | CHEMBL479 | HERG | (p=0.25) |
CHEMBL550473 | Cyclooxygenase-2 | (p=0.21) | CHEMBL1951343 | Cytochrome P450 3A4 | (p=0.19) | CHEMBL551414 | Cytochrome P450 2D6 | (p=0.19) | CHEMBL31354 | Serotonin 1a (5-HT1a) receptor | (p=0.18) |
CHEMBL257087 | Beta-secretase 1 | (p=0.15) | CHEMBL1083832 | Beta-2 adrenergic receptor | (p=0.15) | CHEMBL469006 | Cannabinoid CB2 receptor | (p=0.15) | CHEMBL402276 | Beta-secretase 1 | (p=0.15) |
CHEMBL386046 | Melanin-concentrating hormone receptor 1 | (p=0.14) | CHEMBL521785 | Adenosine A1 receptor | (p=0.12) | CHEMBL504021 | Dipeptidyl peptidase IV | (p=0.11) | CHEMBL215082 | Melanin-concentrating hormone receptor 1 | (p=0.11) |
Score 0.25 |
Score 0.87 | Score 0.02 |
CHEMBL582841 | Carbonic anhydrase II | (p=0.34) | CHEMBL471841 | Dipeptidyl peptidase IV | (p=0.32) | CHEMBL1164472 | Carbonic anhydrase I | (p=0.29) | CHEMBL1643289 | Carbonic anhydrase XII | (p=0.25) |
CHEMBL574783 | Carbonic anhydrase II | (p=0.22) | CHEMBL573859 | Carbonic anhydrase II | (p=0.22) | CHEMBL574021 | Carbonic anhydrase II | (p=0.22) | CHEMBL575660 | Carbonic anhydrase II | (p=0.22) |
CHEMBL574782 | Carbonic anhydrase II | (p=0.22) | CHEMBL583971 | Carbonic anhydrase II | (p=0.2) | CHEMBL513764 | Dipeptidyl peptidase IV | (p=0.19) | CHEMBL518586 | Cytochrome P450 19A1 | (p=0.18) |
CHEMBL476143 | Cytochrome P450 19A1 | (p=0.18) | CHEMBL1078465 | Beta-2 adrenergic receptor | (p=0.15) | CHEMBL471633 | Dipeptidyl peptidase IV | (p=0.15) | CHEMBL1078749 | Beta-2 adrenergic receptor | (p=0.14) |
CHEMBL475943 | Cytochrome P450 19A1 | (p=0.14) | CHEMBL551829 | Cyclooxygenase-2 | (p=0.13) | CHEMBL491222 | Cytochrome P450 19A1 | (p=0.12) | CHEMBL490794 | Cytochrome P450 19A1 | (p=0.12) |
CHEMBL370631 | Matrix metalloproteinase-2 | (p=0.1) | CHEMBL527081 | Cannabinoid CB1 receptor | (p=0.1) |
Score 0.11 | Score 0.07 | Score 0.05 | Score 0.05 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 |
CHEMBL216455 | Melanin-concentrating hormone receptor 1 | (p=0.96) | CHEMBL215662 | Melanin-concentrating hormone receptor 1 | (p=0.96) | CHEMBL215331 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL385612 | Melanin-concentrating hormone receptor 1 | (p=0.95) |
CHEMBL386211 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL385748 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL385452 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL215316 | Melanin-concentrating hormone receptor 1 | (p=0.95) |
CHEMBL385661 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL217487 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL216454 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL384848 | Melanin-concentrating hormone receptor 1 | (p=0.95) |
CHEMBL386548 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL384362 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL214125 | Melanin-concentrating hormone receptor 1 | (p=0.95) | CHEMBL383884 | Melanin-concentrating hormone receptor 1 | (p=0.95) |
CHEMBL214984 | Melanin-concentrating hormone receptor 1 | (p=0.94) | CHEMBL215989 | Melanin-concentrating hormone receptor 1 | (p=0.94) | CHEMBL215648 | Melanin-concentrating hormone receptor 1 | (p=0.94) | CHEMBL425098 | Melanin-concentrating hormone receptor 1 | (p=0.94) |
CHEMBL214541 | Melanin-concentrating hormone receptor 1 | (p=0.94) | CHEMBL217751 | Melanin-concentrating hormone receptor 1 | (p=0.94) | CHEMBL263686 | Melanin-concentrating hormone receptor 1 | (p=0.93) | CHEMBL216576 | Melanin-concentrating hormone receptor 1 | (p=0.9) |
CHEMBL217078 | Melanin-concentrating hormone receptor 1 | (p=0.9) | CHEMBL1173274 | Norepinephrine transporter | (p=0.89) | CHEMBL1173280 | Norepinephrine transporter | (p=0.89) | CHEMBL217502 | Melanin-concentrating hormone receptor 1 | (p=0.89) |
CHEMBL1173430 | Norepinephrine transporter | (p=0.86) | CHEMBL217207 | Melanin-concentrating hormone receptor 1 | (p=0.85) | CHEMBL267319 | Melanin-concentrating hormone receptor 1 | (p=0.85) | CHEMBL215082 | Melanin-concentrating hormone receptor 1 | (p=0.84) |
CHEMBL386046 | Melanin-concentrating hormone receptor 1 | (p=0.81) | CHEMBL1173276 | Norepinephrine transporter | (p=0.8) | CHEMBL1173275 | Norepinephrine transporter | (p=0.8) | CHEMBL1173277 | Norepinephrine transporter | (p=0.8) |
CHEMBL215981 | Melanin-concentrating hormone receptor 1 | (p=0.8) | CHEMBL1173428 | Norepinephrine transporter | (p=0.78) | CHEMBL1173353 | Norepinephrine transporter | (p=0.75) | CHEMBL1172928 | Norepinephrine transporter | (p=0.73) |
CHEMBL1173427 | Norepinephrine transporter | (p=0.7) | CHEMBL1173771 | Norepinephrine transporter | (p=0.69) | CHEMBL1173279 | Norepinephrine transporter | (p=0.67) | CHEMBL1173600 | Norepinephrine transporter | (p=0.63) |
CHEMBL1173597 | Norepinephrine transporter | (p=0.63) | CHEMBL1173772 | Norepinephrine transporter | (p=0.63) | CHEMBL1173429 | Norepinephrine transporter | (p=0.6) | CHEMBL1173354 | Norepinephrine transporter | (p=0.6) |
CHEMBL1170441 | Norepinephrine transporter | (p=0.6) | CHEMBL1173770 | Norepinephrine transporter | (p=0.53) | CHEMBL1171260 | Norepinephrine transporter | (p=0.5) | CHEMBL229430 | Vanilloid receptor | (p=0.4) |
CHEMBL1337519 | Carbonic anhydrase XII | (p=0.4) | CHEMBL1933408 | Serotonin 2a (5-HT2a) receptor | (p=0.29) | CHEMBL111201 | Beta-2 adrenergic receptor | (p=0.22) | CHEMBL1173598 | Norepinephrine transporter | (p=0.2) |
CHEMBL1163814 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.2) | CHEMBL476100 | Cannabinoid CB2 receptor | (p=0.2) | CHEMBL497879 | Cannabinoid CB1 receptor | (p=0.18) | CHEMBL380131 | Vascular endothelial growth factor receptor 2 | (p=0.16) |
CHEMBL1950567 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.14) | CHEMBL153843 | Vascular endothelial growth factor receptor 2 | (p=0.13) | CHEMBL214607 | Vanilloid receptor | (p=0.13) | CHEMBL242821 | Glucocorticoid receptor | (p=0.11) |
Score 0.36 | Score 0.21 | Score 0.14 | Score 0.06 | Score 0.05 | Score 0.04 | Score 0.04 | Score 0.03 |
CHEMBL220491 | Carbonic anhydrase IX | (p=0.51) | CHEMBL1643304 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1729 | HERG | (p=0.34) | CHEMBL1643298 | Carbonic anhydrase XII | (p=0.3) |
CHEMBL1163599 | Carbonic anhydrase I | (p=0.25) | CHEMBL608112 | Muscarinic acetylcholine receptor M1 | (p=0.25) | CHEMBL1509570 | Serotonin 2a (5-HT2a) receptor | (p=0.23) | CHEMBL469317 | Dipeptidyl peptidase IV | (p=0.23) |
CHEMBL1933404 | Serotonin 2a (5-HT2a) receptor | (p=0.22) | CHEMBL1164572 | Carbonic anhydrase I | (p=0.2) | CHEMBL1643302 | Carbonic anhydrase XII | (p=0.2) | CHEMBL470164 | Dipeptidyl peptidase IV | (p=0.2) |
CHEMBL512651 | Dipeptidyl peptidase IV | (p=0.19) | CHEMBL1951330 | Cytochrome P450 3A4 | (p=0.18) | CHEMBL75 | HERG | (p=0.17) | CHEMBL1173279 | Norepinephrine transporter | (p=0.17) |
CHEMBL490584 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL491215 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL471834 | Dipeptidyl peptidase IV | (p=0.17) | CHEMBL179882 | Tyrosine-protein kinase SRC | (p=0.16) |
CHEMBL470357 | Dipeptidyl peptidase IV | (p=0.15) | CHEMBL360937 | Tyrosine-protein kinase SRC | (p=0.15) | CHEMBL526089 | Cannabinoid CB1 receptor | (p=0.14) | CHEMBL1774540 | Dopamine D3 receptor | (p=0.14) |
CHEMBL1774541 | Dopamine D3 receptor | (p=0.14) | CHEMBL185025 | Serotonin transporter | (p=0.13) | CHEMBL1774532 | Dopamine D3 receptor | (p=0.13) | CHEMBL1774533 | Dopamine D3 receptor | (p=0.13) |
CHEMBL480699 | Serotonin 2c (5-HT2c) receptor | (p=0.13) | CHEMBL470356 | Dipeptidyl peptidase IV | (p=0.13) | CHEMBL1112 | Dopamine D2 receptor | (p=0.13) | CHEMBL361836 | Serotonin transporter | (p=0.13) |
CHEMBL512709 | Dipeptidyl peptidase IV | (p=0.12) | CHEMBL181405 | Tyrosine-protein kinase SRC | (p=0.11) | CHEMBL1173428 | Norepinephrine transporter | (p=0.11) | CHEMBL1163721 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.11) |
CHEMBL504021 | Dipeptidyl peptidase IV | (p=0.11) | CHEMBL183550 | Serotonin transporter | (p=0.11) | CHEMBL1951447 | Cytochrome P450 3A4 | (p=0.11) | CHEMBL428074 | Beta-secretase 1 | (p=0.1) |
CHEMBL481140 | Serotonin 1a (5-HT1a) receptor | (p=0.1) |
Score 0.13 | Score 0.11 | Score 0.11 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.06 |
CHEMBL1774549 | Dopamine D3 receptor | (p=0.95) | CHEMBL1774551 | Dopamine D3 receptor | (p=0.95) | CHEMBL72 | HERG | (p=0.8) | CHEMBL1773087 | Dopamine D3 receptor | (p=0.61) |
CHEMBL1774550 | Dopamine D3 receptor | (p=0.55) | CHEMBL1643305 | Carbonic anhydrase XII | (p=0.53) | CHEMBL1774546 | Dopamine D3 receptor | (p=0.51) | CHEMBL1774545 | Dopamine D3 receptor | (p=0.45) |
CHEMBL300780 | Dopamine D3 receptor | (p=0.42) | CHEMBL1774537 | Dopamine D3 receptor | (p=0.39) | CHEMBL1774536 | Dopamine D3 receptor | (p=0.35) | CHEMBL1643303 | Carbonic anhydrase XII | (p=0.1) |
Score 0.07 | Score 0.07 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL512900 | Serotonin 2c (5-HT2c) receptor | (p=0.96) | CHEMBL516452 | Serotonin 2c (5-HT2c) receptor | (p=0.95) | CHEMBL451486 | Serotonin 2c (5-HT2c) receptor | (p=0.95) | CHEMBL518452 | Serotonin 2c (5-HT2c) receptor | (p=0.95) |
CHEMBL479542 | Serotonin 2c (5-HT2c) receptor | (p=0.94) | CHEMBL517692 | Serotonin 2c (5-HT2c) receptor | (p=0.93) | CHEMBL518154 | Serotonin 2c (5-HT2c) receptor | (p=0.92) | CHEMBL472133 | Serotonin 2c (5-HT2c) receptor | (p=0.88) |
CHEMBL508751 | Serotonin 2c (5-HT2c) receptor | (p=0.88) | CHEMBL472134 | Serotonin 2c (5-HT2c) receptor | (p=0.88) | CHEMBL479764 | Serotonin 2c (5-HT2c) receptor | (p=0.88) | CHEMBL479763 | Serotonin 2c (5-HT2c) receptor | (p=0.87) |
CHEMBL480127 | Serotonin 2c (5-HT2c) receptor | (p=0.86) | CHEMBL14460 | Serotonin 2c (5-HT2c) receptor | (p=0.86) | CHEMBL479357 | Serotonin 2c (5-HT2c) receptor | (p=0.86) | CHEMBL480696 | Serotonin 2c (5-HT2c) receptor | (p=0.86) |
CHEMBL480699 | Serotonin 2c (5-HT2c) receptor | (p=0.83) | CHEMBL481289 | Serotonin 2c (5-HT2c) receptor | (p=0.82) | CHEMBL519103 | Serotonin 2c (5-HT2c) receptor | (p=0.81) | CHEMBL479952 | Serotonin 2c (5-HT2c) receptor | (p=0.78) |
CHEMBL229430 | Vanilloid receptor | (p=0.2) | CHEMBL1093483 | Muscarinic acetylcholine receptor M1 | (p=0.12) |
Score 0.08 | Score 0.08 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.05 |
CHEMBL512718 | Dipeptidyl peptidase IV | (p=0.96) | CHEMBL472027 | Dipeptidyl peptidase IV | (p=0.95) | CHEMBL469740 | Dipeptidyl peptidase IV | (p=0.95) | CHEMBL469538 | Dipeptidyl peptidase IV | (p=0.94) |
CHEMBL469521 | Dipeptidyl peptidase IV | (p=0.9) | CHEMBL469730 | Dipeptidyl peptidase IV | (p=0.88) | CHEMBL469522 | Dipeptidyl peptidase IV | (p=0.88) | CHEMBL513543 | Dipeptidyl peptidase IV | (p=0.86) |
CHEMBL512709 | Dipeptidyl peptidase IV | (p=0.84) | CHEMBL470356 | Dipeptidyl peptidase IV | (p=0.83) | CHEMBL469325 | Dipeptidyl peptidase IV | (p=0.82) | CHEMBL512145 | Dipeptidyl peptidase IV | (p=0.82) |
CHEMBL470357 | Dipeptidyl peptidase IV | (p=0.8) | CHEMBL471834 | Dipeptidyl peptidase IV | (p=0.79) | CHEMBL470171 | Dipeptidyl peptidase IV | (p=0.75) | CHEMBL504021 | Dipeptidyl peptidase IV | (p=0.74) |
CHEMBL513764 | Dipeptidyl peptidase IV | (p=0.72) | CHEMBL470170 | Dipeptidyl peptidase IV | (p=0.69) | CHEMBL471842 | Dipeptidyl peptidase IV | (p=0.69) | CHEMBL512651 | Dipeptidyl peptidase IV | (p=0.69) |
CHEMBL470164 | Dipeptidyl peptidase IV | (p=0.68) | CHEMBL471633 | Dipeptidyl peptidase IV | (p=0.64) | CHEMBL471841 | Dipeptidyl peptidase IV | (p=0.61) | CHEMBL469317 | Dipeptidyl peptidase IV | (p=0.57) |
CHEMBL489189 | Cytochrome P450 19A1 | (p=0.19) | CHEMBL489986 | Cytochrome P450 19A1 | (p=0.16) | CHEMBL708 | HERG | (p=0.13) | CHEMBL229430 | Vanilloid receptor | (p=0.1) |
Score 0.07 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL69230 | Tyrosine-protein kinase SRC | (p=0.96) | CHEMBL426953 | Tyrosine-protein kinase SRC | (p=0.96) | CHEMBL181408 | Tyrosine-protein kinase SRC | (p=0.95) | CHEMBL67445 | Tyrosine-protein kinase SRC | (p=0.95) |
CHEMBL369339 | Tyrosine-protein kinase SRC | (p=0.95) | CHEMBL179802 | Tyrosine-protein kinase SRC | (p=0.94) | CHEMBL359464 | Tyrosine-protein kinase SRC | (p=0.94) | CHEMBL180051 | Tyrosine-protein kinase SRC | (p=0.93) |
CHEMBL181405 | Tyrosine-protein kinase SRC | (p=0.85) | CHEMBL181639 | Tyrosine-protein kinase SRC | (p=0.83) | CHEMBL360937 | Tyrosine-protein kinase SRC | (p=0.82) | CHEMBL420549 | Tyrosine-protein kinase SRC | (p=0.81) |
CHEMBL179755 | Tyrosine-protein kinase SRC | (p=0.75) | CHEMBL425872 | Tyrosine-protein kinase SRC | (p=0.73) | CHEMBL180299 | Tyrosine-protein kinase SRC | (p=0.71) | CHEMBL179955 | Tyrosine-protein kinase SRC | (p=0.69) |
CHEMBL361205 | Tyrosine-protein kinase SRC | (p=0.45) | CHEMBL67259 | Tyrosine-protein kinase SRC | (p=0.4) |
Score 0.08 | Score 0.07 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL213712 | Cathepsin S | (p=0.96) | CHEMBL424904 | Cathepsin S | (p=0.95) | CHEMBL214626 | Cathepsin S | (p=0.91) | CHEMBL424891 | Cathepsin S | (p=0.87) |
CHEMBL386488 | Cathepsin S | (p=0.86) | CHEMBL444645 | Cathepsin S | (p=0.86) | CHEMBL215198 | Cathepsin S | (p=0.86) | CHEMBL385719 | Cathepsin S | (p=0.86) |
CHEMBL214757 | Cathepsin S | (p=0.79) | CHEMBL425079 | Cathepsin S | (p=0.79) | CHEMBL424894 | Cathepsin S | (p=0.56) | CHEMBL214328 | Cathepsin S | (p=0.47) |
CHEMBL424718 | Cathepsin S | (p=0.45) | CHEMBL217818 | Cathepsin S | (p=0.26) |
Score 0.22 | Score 0.09 | Score 0.07 | Score 0.07 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL498268 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL500690 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL500689 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL499075 | Cannabinoid CB1 receptor | (p=0.95) |
CHEMBL525551 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL500437 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL498747 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL524634 | Cannabinoid CB1 receptor | (p=0.95) |
CHEMBL527108 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL499076 | Cannabinoid CB1 receptor | (p=0.95) | CHEMBL498746 | Cannabinoid CB1 receptor | (p=0.94) | CHEMBL496901 | Cannabinoid CB1 receptor | (p=0.94) |
CHEMBL496695 | Cannabinoid CB1 receptor | (p=0.93) | CHEMBL500688 | Cannabinoid CB1 receptor | (p=0.93) | CHEMBL497914 | Cannabinoid CB1 receptor | (p=0.93) | CHEMBL497913 | Cannabinoid CB1 receptor | (p=0.93) |
CHEMBL522904 | Cannabinoid CB1 receptor | (p=0.93) | CHEMBL524277 | Cannabinoid CB1 receptor | (p=0.93) | CHEMBL526467 | Cannabinoid CB1 receptor | (p=0.92) | CHEMBL498748 | Cannabinoid CB1 receptor | (p=0.9) |
CHEMBL524727 | Cannabinoid CB1 receptor | (p=0.9) | CHEMBL497925 | Cannabinoid CB1 receptor | (p=0.87) | CHEMBL527081 | Cannabinoid CB1 receptor | (p=0.85) | CHEMBL526089 | Cannabinoid CB1 receptor | (p=0.81) |
CHEMBL497879 | Cannabinoid CB1 receptor | (p=0.77) | CHEMBL111 | Cannabinoid CB1 receptor | (p=0.75) | CHEMBL1173598 | Norepinephrine transporter | (p=0.6) | CHEMBL42 | HERG | (p=0.4) |
CHEMBL845 | HERG | (p=0.4) | CHEMBL54 | HERG | (p=0.34) | CHEMBL1446150 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1173354 | Norepinephrine transporter | (p=0.3) |
CHEMBL75 | HERG | (p=0.25) | CHEMBL517347 | Cytochrome P450 19A1 | (p=0.25) | CHEMBL1471412 | Serotonin 2a (5-HT2a) receptor | (p=0.23) | CHEMBL101253 | Vascular endothelial growth factor receptor 2 | (p=0.23) |
CHEMBL514514 | Cytochrome P450 19A1 | (p=0.18) | CHEMBL489359 | Cytochrome P450 19A1 | (p=0.18) | CHEMBL1951320 | Cytochrome P450 3A4 | (p=0.18) | CHEMBL12713 | HERG | (p=0.17) |
CHEMBL491825 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL490194 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL478648 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL491013 | Cytochrome P450 19A1 | (p=0.17) |
CHEMBL1164653 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.16) | CHEMBL467391 | Cannabinoid CB2 receptor | (p=0.14) | CHEMBL420549 | Tyrosine-protein kinase SRC | (p=0.12) | CHEMBL467392 | Cannabinoid CB2 receptor | (p=0.12) |
Score 0.26 | Score 0.15 | Score 0.14 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.07 | Score 0.06 |
CHEMBL1164473 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.95) | CHEMBL1165719 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.83) | CHEMBL1165677 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.83) | CHEMBL1164653 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.79) |
CHEMBL1164556 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.79) | CHEMBL1163486 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.79) | CHEMBL1163965 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.79) | CHEMBL1163741 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.79) |
CHEMBL1164648 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.78) | CHEMBL1163764 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.76) | CHEMBL1163814 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.75) | CHEMBL1163538 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.75) |
CHEMBL1165469 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.74) | CHEMBL1164246 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.74) | CHEMBL1164649 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.72) | CHEMBL1164911 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.71) |
CHEMBL1163768 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.7) | CHEMBL1163811 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.7) | CHEMBL1163536 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.68) | CHEMBL1163672 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.66) |
CHEMBL1164070 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.64) | CHEMBL536480 | HERG | (p=0.64) | CHEMBL1164745 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.62) | CHEMBL1163721 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.62) |
CHEMBL414 | Carbonic anhydrase IX | (p=0.4) | CHEMBL54 | HERG | (p=0.34) | CHEMBL1643295 | Carbonic anhydrase XII | (p=0.25) | CHEMBL378563 | Vanilloid receptor | (p=0.13) |
CHEMBL361442 | Alpha-2a adrenergic receptor | (p=0.12) |
Score 0.14 | Score 0.14 | Score 0.14 | Score 0.13 | Score 0.11 | Score 0.08 | Score 0.05 | Score 0.05 |
CHEMBL1165695 | Carbonic anhydrase I | (p=0.88) | CHEMBL1164967 | Carbonic anhydrase I | (p=0.84) | CHEMBL1165822 | Carbonic anhydrase I | (p=0.84) | CHEMBL1164878 | Carbonic anhydrase I | (p=0.84) |
CHEMBL1164966 | Carbonic anhydrase I | (p=0.84) | CHEMBL1163376 | Carbonic anhydrase I | (p=0.8) | CHEMBL1165072 | Carbonic anhydrase I | (p=0.8) | CHEMBL1165118 | Carbonic anhydrase I | (p=0.8) |
CHEMBL1165005 | Carbonic anhydrase I | (p=0.8) | CHEMBL1165319 | Carbonic anhydrase I | (p=0.8) | CHEMBL1165117 | Carbonic anhydrase I | (p=0.8) | CHEMBL1164486 | Carbonic anhydrase I | (p=0.8) |
CHEMBL1165062 | Carbonic anhydrase I | (p=0.71) | CHEMBL266240 | Carbonic anhydrase IX | (p=0.67) | CHEMBL1165321 | Carbonic anhydrase I | (p=0.67) | CHEMBL1164472 | Carbonic anhydrase I | (p=0.57) |
CHEMBL6705 | Carbonic anhydrase IX | (p=0.51) | CHEMBL418 | Carbonic anhydrase IX | (p=0.5) | CHEMBL1163599 | Carbonic anhydrase I | (p=0.5) | CHEMBL1165061 | Carbonic anhydrase I | (p=0.49) |
CHEMBL1163951 | Carbonic anhydrase I | (p=0.45) | CHEMBL478648 | Cytochrome P450 19A1 | (p=0.45) | CHEMBL1164572 | Carbonic anhydrase I | (p=0.4) | CHEMBL1933573 | Serotonin 2a (5-HT2a) receptor | (p=0.33) |
CHEMBL478647 | Cytochrome P450 19A1 | (p=0.32) | CHEMBL514514 | Cytochrome P450 19A1 | (p=0.3) | CHEMBL1173770 | Norepinephrine transporter | (p=0.27) | CHEMBL1951448 | Cytochrome P450 3A4 | (p=0.2) |
CHEMBL475943 | Cytochrome P450 19A1 | (p=0.18) | CHEMBL1092988 | Muscarinic acetylcholine receptor M1 | (p=0.17) | CHEMBL1092987 | Muscarinic acetylcholine receptor M1 | (p=0.17) | CHEMBL1093224 | Muscarinic acetylcholine receptor M1 | (p=0.17) |
CHEMBL517347 | Cytochrome P450 19A1 | (p=0.17) | CHEMBL1173771 | Norepinephrine transporter | (p=0.16) | CHEMBL1092849 | Muscarinic acetylcholine receptor M1 | (p=0.14) | CHEMBL490795 | Cytochrome P450 19A1 | (p=0.13) |
CHEMBL521591 | Cytochrome P450 19A1 | (p=0.13) | CHEMBL491824 | Cytochrome P450 19A1 | (p=0.13) | CHEMBL1774080 | Dopamine D2 receptor | (p=0.12) | CHEMBL491825 | Cytochrome P450 19A1 | (p=0.11) |
CHEMBL490194 | Cytochrome P450 19A1 | (p=0.11) | CHEMBL491214 | Cytochrome P450 19A1 | (p=0.11) |
Score 0.08 | Score 0.08 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL203056 | Vascular endothelial growth factor receptor 2 | (p=0.96) | CHEMBL205463 | Vascular endothelial growth factor receptor 2 | (p=0.96) | CHEMBL202892 | Vascular endothelial growth factor receptor 2 | (p=0.96) | CHEMBL382672 | Vascular endothelial growth factor receptor 2 | (p=0.96) |
CHEMBL204874 | Vascular endothelial growth factor receptor 2 | (p=0.95) | CHEMBL205127 | Vascular endothelial growth factor receptor 2 | (p=0.91) | CHEMBL206118 | Vascular endothelial growth factor receptor 2 | (p=0.9) | CHEMBL203119 | Vascular endothelial growth factor receptor 2 | (p=0.87) |
CHEMBL203789 | Vascular endothelial growth factor receptor 2 | (p=0.86) | CHEMBL378592 | Vascular endothelial growth factor receptor 2 | (p=0.86) | CHEMBL205884 | Vascular endothelial growth factor receptor 2 | (p=0.83) | CHEMBL379908 | Vascular endothelial growth factor receptor 2 | (p=0.82) |
CHEMBL203394 | Vascular endothelial growth factor receptor 2 | (p=0.81) | CHEMBL380131 | Vascular endothelial growth factor receptor 2 | (p=0.8) | CHEMBL203731 | Vascular endothelial growth factor receptor 2 | (p=0.8) | CHEMBL205464 | Vascular endothelial growth factor receptor 2 | (p=0.8) |
CHEMBL206538 | Vascular endothelial growth factor receptor 2 | (p=0.79) | CHEMBL203796 | Vascular endothelial growth factor receptor 2 | (p=0.79) | CHEMBL383255 | Vascular endothelial growth factor receptor 2 | (p=0.77) | CHEMBL378165 | Vascular endothelial growth factor receptor 2 | (p=0.73) |
Score 0.11 | Score 0.11 | Score 0.10 | Score 0.10 | Score 0.10 | Score 0.10 | Score 0.09 | Score 0.09 |
CHEMBL476979 | Cytochrome P450 19A1 | (p=0.92) | CHEMBL491213 | Cytochrome P450 19A1 | (p=0.88) | CHEMBL490794 | Cytochrome P450 19A1 | (p=0.82) | CHEMBL491013 | Cytochrome P450 19A1 | (p=0.78) |
CHEMBL491215 | Cytochrome P450 19A1 | (p=0.78) | CHEMBL490187 | Cytochrome P450 19A1 | (p=0.78) | CHEMBL490795 | Cytochrome P450 19A1 | (p=0.75) | CHEMBL491824 | Cytochrome P450 19A1 | (p=0.75) |
CHEMBL521591 | Cytochrome P450 19A1 | (p=0.75) | CHEMBL516275 | Cytochrome P450 19A1 | (p=0.73) | CHEMBL476143 | Cytochrome P450 19A1 | (p=0.73) | CHEMBL489986 | Cytochrome P450 19A1 | (p=0.71) |
CHEMBL490194 | Cytochrome P450 19A1 | (p=0.67) | CHEMBL491214 | Cytochrome P450 19A1 | (p=0.67) | CHEMBL517347 | Cytochrome P450 19A1 | (p=0.5) | CHEMBL475943 | Cytochrome P450 19A1 | (p=0.5) |
CHEMBL523973 | Cytochrome P450 19A1 | (p=0.46) | CHEMBL491825 | Cytochrome P450 19A1 | (p=0.44) | CHEMBL478647 | Cytochrome P450 19A1 | (p=0.41) | CHEMBL514514 | Cytochrome P450 19A1 | (p=0.35) |
CHEMBL478648 | Cytochrome P450 19A1 | (p=0.33) | CHEMBL75 | HERG | (p=0.17) | CHEMBL1091968 | Muscarinic acetylcholine receptor M1 | (p=0.12) |
Score 0.07 | Score 0.07 | Score 0.07 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.04 | Score 0.04 |
CHEMBL564922 | Cytochrome P450 2D6 | (p=0.96) | CHEMBL494462 | Cytochrome P450 2D6 | (p=0.96) | CHEMBL563893 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL551413 | Cytochrome P450 2D6 | (p=0.95) |
CHEMBL561882 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL561805 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL550063 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL556439 | Cytochrome P450 2D6 | (p=0.95) |
CHEMBL562478 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL559414 | Cytochrome P450 2D6 | (p=0.95) | CHEMBL563700 | Cytochrome P450 2D6 | (p=0.94) | CHEMBL562898 | Cytochrome P450 2D6 | (p=0.94) |
CHEMBL550669 | Cytochrome P450 2D6 | (p=0.94) | CHEMBL550472 | Cytochrome P450 2D6 | (p=0.94) | CHEMBL551615 | Cytochrome P450 2D6 | (p=0.93) | CHEMBL551412 | Cytochrome P450 2D6 | (p=0.9) |
CHEMBL563137 | Cytochrome P450 2D6 | (p=0.9) | CHEMBL1933398 | Serotonin 2a (5-HT2a) receptor | (p=0.9) | CHEMBL1933397 | Serotonin 2a (5-HT2a) receptor | (p=0.9) | CHEMBL1933401 | Serotonin 2a (5-HT2a) receptor | (p=0.9) |
CHEMBL557458 | Cytochrome P450 2D6 | (p=0.9) | CHEMBL562873 | Cytochrome P450 2D6 | (p=0.9) | CHEMBL557257 | Cytochrome P450 2D6 | (p=0.9) | CHEMBL1933572 | Serotonin 2a (5-HT2a) receptor | (p=0.89) |
CHEMBL1933414 | Serotonin 2a (5-HT2a) receptor | (p=0.89) | CHEMBL550261 | Cytochrome P450 2D6 | (p=0.87) | CHEMBL551613 | Cytochrome P450 2D6 | (p=0.87) | CHEMBL1933402 | Serotonin 2a (5-HT2a) receptor | (p=0.82) |
CHEMBL1933396 | Serotonin 2a (5-HT2a) receptor | (p=0.82) | CHEMBL551536 | Cytochrome P450 2D6 | (p=0.82) | CHEMBL1933409 | Serotonin 2a (5-HT2a) receptor | (p=0.8) | CHEMBL1933411 | Serotonin 2a (5-HT2a) receptor | (p=0.8) |
CHEMBL1933413 | Serotonin 2a (5-HT2a) receptor | (p=0.78) | CHEMBL551414 | Cytochrome P450 2D6 | (p=0.78) | CHEMBL1933400 | Serotonin 2a (5-HT2a) receptor | (p=0.75) | CHEMBL1933410 | Serotonin 2a (5-HT2a) receptor | (p=0.73) |
CHEMBL557121 | Cytochrome P450 2D6 | (p=0.72) | CHEMBL1471412 | Serotonin 2a (5-HT2a) receptor | (p=0.69) | CHEMBL1509570 | Serotonin 2a (5-HT2a) receptor | (p=0.69) | CHEMBL1933399 | Serotonin 2a (5-HT2a) receptor | (p=0.69) |
CHEMBL1933404 | Serotonin 2a (5-HT2a) receptor | (p=0.64) | CHEMBL1933408 | Serotonin 2a (5-HT2a) receptor | (p=0.64) | CHEMBL1617116 | Serotonin 2a (5-HT2a) receptor | (p=0.64) | CHEMBL1933403 | Serotonin 2a (5-HT2a) receptor | (p=0.64) |
CHEMBL1933405 | Serotonin 2a (5-HT2a) receptor | (p=0.6) | CHEMBL1933573 | Serotonin 2a (5-HT2a) receptor | (p=0.58) | CHEMBL122 | Cyclooxygenase-2 | (p=0.4) | CHEMBL845 | HERG | (p=0.4) |
CHEMBL42 | HERG | (p=0.4) | CHEMBL24828 | Vascular endothelial growth factor receptor 2 | (p=0.19) | CHEMBL1951338 | Cytochrome P450 3A4 | (p=0.18) |
Score 0.10 | Score 0.10 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL1935416 | Histamine H3 receptor | (p=0.95) | CHEMBL1935414 | Histamine H3 receptor | (p=0.95) | CHEMBL1935412 | Histamine H3 receptor | (p=0.95) | CHEMBL1935415 | Histamine H3 receptor | (p=0.95) |
CHEMBL1935407 | Histamine H3 receptor | (p=0.95) | CHEMBL1935413 | Histamine H3 receptor | (p=0.95) | CHEMBL1935425 | Histamine H3 receptor | (p=0.95) | CHEMBL1935426 | Histamine H3 receptor | (p=0.95) |
CHEMBL1933091 | Histamine H3 receptor | (p=0.95) | CHEMBL1935419 | Histamine H3 receptor | (p=0.95) | CHEMBL1935418 | Histamine H3 receptor | (p=0.95) | CHEMBL1935424 | Histamine H3 receptor | (p=0.95) |
CHEMBL1935422 | Histamine H3 receptor | (p=0.95) | CHEMBL1935420 | Histamine H3 receptor | (p=0.95) | CHEMBL1935423 | Histamine H3 receptor | (p=0.95) | CHEMBL1935408 | Histamine H3 receptor | (p=0.95) |
CHEMBL1935410 | Histamine H3 receptor | (p=0.95) | CHEMBL1935421 | Histamine H3 receptor | (p=0.95) | CHEMBL1935411 | Histamine H3 receptor | (p=0.95) |
Score 0.11 | Score 0.11 | Score 0.11 | Score 0.10 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL379624 | C-C chemokine receptor type 2 | (p=0.96) | CHEMBL212928 | C-C chemokine receptor type 2 | (p=0.95) | CHEMBL277279 | C-C chemokine receptor type 2 | (p=0.95) | CHEMBL210606 | C-C chemokine receptor type 2 | (p=0.95) |
CHEMBL213601 | C-C chemokine receptor type 2 | (p=0.95) | CHEMBL213648 | C-C chemokine receptor type 2 | (p=0.95) | CHEMBL209423 | C-C chemokine receptor type 2 | (p=0.93) | CHEMBL378784 | C-C chemokine receptor type 2 | (p=0.93) |
CHEMBL209975 | C-C chemokine receptor type 2 | (p=0.91) | CHEMBL209696 | C-C chemokine receptor type 2 | (p=0.9) | CHEMBL379742 | C-C chemokine receptor type 2 | (p=0.86) | CHEMBL209267 | C-C chemokine receptor type 2 | (p=0.82) |
CHEMBL215515 | C-C chemokine receptor type 2 | (p=0.8) | CHEMBL209899 | C-C chemokine receptor type 2 | (p=0.8) | CHEMBL384368 | C-C chemokine receptor type 2 | (p=0.76) | CHEMBL212423 | C-C chemokine receptor type 2 | (p=0.63) |
CHEMBL211106 | C-C chemokine receptor type 2 | (p=0.59) | CHEMBL1423 | HERG | (p=0.52) | CHEMBL1643293 | Carbonic anhydrase XII | (p=0.46) | CHEMBL479 | HERG | (p=0.25) |
CHEMBL1088 | HERG | (p=0.25) | CHEMBL1643296 | Carbonic anhydrase XII | (p=0.25) | CHEMBL111 | Cannabinoid CB1 receptor | (p=0.19) | CHEMBL1933400 | Serotonin 2a (5-HT2a) receptor | (p=0.17) |
CHEMBL1951451 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1951342 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1089735 | Beta-2 adrenergic receptor | (p=0.1) |
Score 0.26 | Score 0.17 | Score 0.17 | Score 0.16 | Score 0.12 |
CHEMBL1933405 | Serotonin 2a (5-HT2a) receptor | (p=0.33) | CHEMBL217136 | Cathepsin S | (p=0.31) | CHEMBL1164649 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.24) | CHEMBL386351 | Cathepsin S | (p=0.22) |
CHEMBL214982 | Cathepsin S | (p=0.22) | CHEMBL214327 | Cathepsin S | (p=0.21) | CHEMBL383968 | Cathepsin S | (p=0.19) | CHEMBL383255 | Vascular endothelial growth factor receptor 2 | (p=0.19) |
CHEMBL469040 | Cannabinoid CB2 receptor | (p=0.13) | CHEMBL205884 | Vascular endothelial growth factor receptor 2 | (p=0.13) | CHEMBL1164745 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.11) | CHEMBL1173275 | Norepinephrine transporter | (p=0.1) |
CHEMBL1933409 | Serotonin 2a (5-HT2a) receptor | (p=0.1) |
Score 0.41 | Score 0.21 |
CHEMBL418 | Carbonic anhydrase IX | (p=0.25) |
Score 0.08 | Score 0.07 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 |
CHEMBL397212 | Glucocorticoid receptor | (p=0.97) | CHEMBL390644 | Glucocorticoid receptor | (p=0.97) | CHEMBL245134 | Glucocorticoid receptor | (p=0.97) | CHEMBL397191 | Glucocorticoid receptor | (p=0.96) |
CHEMBL396451 | Glucocorticoid receptor | (p=0.96) | CHEMBL230901 | Glucocorticoid receptor | (p=0.96) | CHEMBL1201025 | Glucocorticoid receptor | (p=0.95) | CHEMBL232219 | Glucocorticoid receptor | (p=0.94) |
CHEMBL244972 | Glucocorticoid receptor | (p=0.93) | CHEMBL395706 | Glucocorticoid receptor | (p=0.93) | CHEMBL232847 | Glucocorticoid receptor | (p=0.93) | CHEMBL233249 | Glucocorticoid receptor | (p=0.93) |
CHEMBL394860 | Glucocorticoid receptor | (p=0.93) | CHEMBL390700 | Glucocorticoid receptor | (p=0.91) | CHEMBL245131 | Glucocorticoid receptor | (p=0.9) | CHEMBL429618 | Glucocorticoid receptor | (p=0.89) |
CHEMBL396784 | Glucocorticoid receptor | (p=0.89) | CHEMBL232428 | Glucocorticoid receptor | (p=0.88) | CHEMBL396983 | Glucocorticoid receptor | (p=0.88) | CHEMBL232223 | Glucocorticoid receptor | (p=0.88) |
CHEMBL232434 | Glucocorticoid receptor | (p=0.87) | CHEMBL232828 | Glucocorticoid receptor | (p=0.87) | CHEMBL397239 | Glucocorticoid receptor | (p=0.87) | CHEMBL242821 | Glucocorticoid receptor | (p=0.86) |
CHEMBL231798 | Glucocorticoid receptor | (p=0.85) | CHEMBL9298 | Cytochrome P450 19A1 | (p=0.42) | CHEMBL557121 | Cytochrome P450 2D6 | (p=0.14) |
Score 0.49 | Score 0.25 |
CHEMBL573381 | Carbonic anhydrase II | (p=0.22) | CHEMBL574245 | Carbonic anhydrase II | (p=0.22) | CHEMBL101253 | Vascular endothelial growth factor receptor 2 | (p=0.21) | CHEMBL1951443 | Cytochrome P450 3A4 | (p=0.2) |
CHEMBL1092430 | Muscarinic acetylcholine receptor M1 | (p=0.17) | CHEMBL1951450 | Cytochrome P450 3A4 | (p=0.16) | CHEMBL512121 | Cannabinoid CB2 receptor | (p=0.14) |
Score 0.35 | Score 0.14 | Score 0.06 | Score 0.06 | Score 0.03 | Score 0.03 | Score 0.03 | Score 0.03 |
CHEMBL516874 | HERG | (p=0.75) | CHEMBL192 | HERG | (p=0.51) | CHEMBL715 | HERG | (p=0.51) | CHEMBL24828 | Vascular endothelial growth factor receptor 2 | (p=0.45) |
Score 0.13 | Score 0.08 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 |
CHEMBL194377 | Matrix metalloproteinase-2 | (p=0.95) | CHEMBL198389 | Matrix metalloproteinase-2 | (p=0.95) | CHEMBL370333 | Matrix metalloproteinase-2 | (p=0.95) | CHEMBL199241 | Matrix metalloproteinase-2 | (p=0.95) |
CHEMBL198262 | Matrix metalloproteinase-2 | (p=0.95) | CHEMBL425020 | Matrix metalloproteinase-2 | (p=0.95) | CHEMBL427366 | Matrix metalloproteinase-2 | (p=0.94) | CHEMBL199018 | Matrix metalloproteinase-2 | (p=0.94) |
CHEMBL197587 | Matrix metalloproteinase-2 | (p=0.93) | CHEMBL198039 | Matrix metalloproteinase-2 | (p=0.9) | CHEMBL365947 | Matrix metalloproteinase-2 | (p=0.9) | CHEMBL194430 | Matrix metalloproteinase-2 | (p=0.89) |
CHEMBL370631 | Matrix metalloproteinase-2 | (p=0.85) | CHEMBL373217 | Matrix metalloproteinase-2 | (p=0.81) | CHEMBL199227 | Matrix metalloproteinase-2 | (p=0.8) | CHEMBL198254 | Matrix metalloproteinase-2 | (p=0.8) |
CHEMBL187523 | Matrix metalloproteinase-2 | (p=0.79) | CHEMBL370351 | Matrix metalloproteinase-2 | (p=0.78) | CHEMBL370667 | Matrix metalloproteinase-2 | (p=0.73) | CHEMBL362791 | Matrix metalloproteinase-2 | (p=0.73) |
CHEMBL197809 | Matrix metalloproteinase-2 | (p=0.65) | CHEMBL73962 | Carbonic anhydrase IX | (p=0.51) | CHEMBL268439 | Carbonic anhydrase IX | (p=0.51) | CHEMBL7146 | Carbonic anhydrase IX | (p=0.17) |
CHEMBL77517 | Carbonic anhydrase I | (p=0.17) |
Score 0.11 | Score 0.11 | Score 0.11 | Score 0.10 | Score 0.10 | Score 0.09 | Score 0.09 | Score 0.07 |
CHEMBL561891 | Cyclooxygenase-2 | (p=0.94) | CHEMBL540166 | Cyclooxygenase-2 | (p=0.92) | CHEMBL560284 | Cyclooxygenase-2 | (p=0.92) | CHEMBL539663 | Cyclooxygenase-2 | (p=0.9) |
CHEMBL550537 | Cyclooxygenase-2 | (p=0.88) | CHEMBL551017 | Cyclooxygenase-2 | (p=0.88) | CHEMBL558727 | Cyclooxygenase-2 | (p=0.88) | CHEMBL559886 | Cyclooxygenase-2 | (p=0.86) |
CHEMBL549393 | Cyclooxygenase-2 | (p=0.82) | CHEMBL558728 | Cyclooxygenase-2 | (p=0.82) | CHEMBL561609 | Cyclooxygenase-2 | (p=0.81) | CHEMBL550126 | Cyclooxygenase-2 | (p=0.78) |
CHEMBL561086 | Cyclooxygenase-2 | (p=0.75) | CHEMBL563322 | Cyclooxygenase-2 | (p=0.69) | CHEMBL561950 | Cyclooxygenase-2 | (p=0.69) | CHEMBL551419 | Cyclooxygenase-2 | (p=0.66) |
CHEMBL551148 | Cyclooxygenase-2 | (p=0.64) | CHEMBL560887 | Cyclooxygenase-2 | (p=0.64) | CHEMBL564729 | Cyclooxygenase-2 | (p=0.63) | CHEMBL550473 | Cyclooxygenase-2 | (p=0.61) |
CHEMBL558929 | Cyclooxygenase-2 | (p=0.6) | CHEMBL551829 | Cyclooxygenase-2 | (p=0.6) | CHEMBL559613 | Cyclooxygenase-2 | (p=0.54) | CHEMBL416146 | Cyclooxygenase-2 | (p=0.4) |
CHEMBL122 | Cyclooxygenase-2 | (p=0.4) | CHEMBL229430 | Vanilloid receptor | (p=0.1) |
Score 0.25 | Score 0.22 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL489188 | Cytochrome P450 19A1 | (p=0.93) | CHEMBL475944 | Cytochrome P450 19A1 | (p=0.92) | CHEMBL523813 | Cytochrome P450 19A1 | (p=0.88) | CHEMBL489360 | Cytochrome P450 19A1 | (p=0.88) |
CHEMBL489187 | Cytochrome P450 19A1 | (p=0.87) | CHEMBL491222 | Cytochrome P450 19A1 | (p=0.82) | CHEMBL490584 | Cytochrome P450 19A1 | (p=0.78) | CHEMBL522089 | Cytochrome P450 19A1 | (p=0.78) |
CHEMBL489359 | Cytochrome P450 19A1 | (p=0.77) | CHEMBL521600 | Cytochrome P450 19A1 | (p=0.76) | CHEMBL489189 | Cytochrome P450 19A1 | (p=0.75) | CHEMBL491023 | Cytochrome P450 19A1 | (p=0.74) |
CHEMBL518586 | Cytochrome P450 19A1 | (p=0.73) | CHEMBL1089771 | Muscarinic acetylcholine receptor M1 | (p=0.45) | CHEMBL1090104 | Muscarinic acetylcholine receptor M1 | (p=0.41) | CHEMBL865 | Cyclooxygenase-2 | (p=0.4) |
CHEMBL1091392 | Muscarinic acetylcholine receptor M1 | (p=0.39) | CHEMBL1090105 | Muscarinic acetylcholine receptor M1 | (p=0.39) | CHEMBL1090106 | Muscarinic acetylcholine receptor M1 | (p=0.35) | CHEMBL1092849 | Muscarinic acetylcholine receptor M1 | (p=0.35) |
CHEMBL582841 | Carbonic anhydrase II | (p=0.34) | CHEMBL609602 | Muscarinic acetylcholine receptor M1 | (p=0.31) | CHEMBL1089453 | Muscarinic acetylcholine receptor M1 | (p=0.3) | CHEMBL1933403 | Serotonin 2a (5-HT2a) receptor | (p=0.29) |
CHEMBL1093126 | Muscarinic acetylcholine receptor M1 | (p=0.28) | CHEMBL574783 | Carbonic anhydrase II | (p=0.22) | CHEMBL573859 | Carbonic anhydrase II | (p=0.22) | CHEMBL574021 | Carbonic anhydrase II | (p=0.22) |
CHEMBL575660 | Carbonic anhydrase II | (p=0.22) | CHEMBL574782 | Carbonic anhydrase II | (p=0.22) | CHEMBL1951331 | Cytochrome P450 3A4 | (p=0.22) | CHEMBL1090103 | Muscarinic acetylcholine receptor M1 | (p=0.22) |
CHEMBL1643303 | Carbonic anhydrase XII | (p=0.2) | CHEMBL583971 | Carbonic anhydrase II | (p=0.2) | CHEMBL1163538 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.2) | CHEMBL573381 | Carbonic anhydrase II | (p=0.17) |
CHEMBL574245 | Carbonic anhydrase II | (p=0.17) | CHEMBL197809 | Matrix metalloproteinase-2 | (p=0.16) | CHEMBL205464 | Vascular endothelial growth factor receptor 2 | (p=0.16) | CHEMBL1089734 | Beta-2 adrenergic receptor | (p=0.15) |
CHEMBL1951443 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1951446 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1951445 | Cytochrome P450 3A4 | (p=0.13) | CHEMBL1089396 | Beta-2 adrenergic receptor | (p=0.12) |
CHEMBL1092430 | Muscarinic acetylcholine receptor M1 | (p=0.11) | CHEMBL1951444 | Cytochrome P450 3A4 | (p=0.11) | CHEMBL1951447 | Cytochrome P450 3A4 | (p=0.11) | CHEMBL1951450 | Cytochrome P450 3A4 | (p=0.11) |
Score 0.32 | Score 0.18 | Score 0.14 | Score 0.04 |
CHEMBL1173427 | Norepinephrine transporter | (p=0.2) | CHEMBL559613 | Cyclooxygenase-2 | (p=0.16) | CHEMBL203394 | Vascular endothelial growth factor receptor 2 | (p=0.14) | CHEMBL1165469 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.12) |
CHEMBL1163951 | Carbonic anhydrase I | (p=0.11) | CHEMBL1165677 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.11) |
Score 0.21 | Score 0.18 | Score 0.13 | Score 0.09 | Score 0.06 | Score 0.05 |
CHEMBL182288 | Serotonin transporter | (p=0.89) | CHEMBL184910 | Serotonin transporter | (p=0.22) | CHEMBL180899 | Serotonin transporter | (p=0.2) | CHEMBL362363 | Serotonin transporter | (p=0.17) |
Score 0.41 | Score 0.33 | Score 0.03 |
CHEMBL1643302 | Carbonic anhydrase XII | (p=0.2) | CHEMBL481289 | Serotonin 2c (5-HT2c) receptor | (p=0.12) | CHEMBL1078495 | Beta-2 adrenergic receptor | (p=0.11) | CHEMBL403727 | Beta-secretase 1 | (p=0.1) |
CHEMBL1173277 | Norepinephrine transporter | (p=0.1) | CHEMBL1933411 | Serotonin 2a (5-HT2a) receptor | (p=0.1) |
Score 0.29 | Score 0.24 | Score 0.06 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL573335 | Carbonic anhydrase II | (p=0.9) | CHEMBL574246 | Carbonic anhydrase II | (p=0.89) | CHEMBL584387 | Carbonic anhydrase II | (p=0.89) | CHEMBL583171 | Carbonic anhydrase II | (p=0.89) |
CHEMBL574780 | Carbonic anhydrase II | (p=0.84) | CHEMBL574779 | Carbonic anhydrase II | (p=0.78) | CHEMBL573127 | Carbonic anhydrase II | (p=0.78) | CHEMBL6784 | Carbonic anhydrase IX | (p=0.75) |
CHEMBL7087 | Carbonic anhydrase IX | (p=0.75) | CHEMBL6919 | Carbonic anhydrase IX | (p=0.67) | CHEMBL419 | Carbonic anhydrase IX | (p=0.67) | CHEMBL21 | Carbonic anhydrase IX | (p=0.67) |
CHEMBL7204 | Carbonic anhydrase IX | (p=0.67) | CHEMBL6853 | Carbonic anhydrase IX | (p=0.67) | CHEMBL268177 | Carbonic anhydrase IX | (p=0.67) | CHEMBL7092 | Carbonic anhydrase IX | (p=0.67) |
CHEMBL6724 | Carbonic anhydrase IX | (p=0.67) | CHEMBL6852 | Carbonic anhydrase IX | (p=0.67) | CHEMBL26 | Dopamine D3 receptor | (p=0.5) | CHEMBL583971 | Carbonic anhydrase II | (p=0.5) |
CHEMBL574021 | Carbonic anhydrase II | (p=0.45) | CHEMBL575660 | Carbonic anhydrase II | (p=0.45) | CHEMBL582965 | Carbonic anhydrase II | (p=0.43) | CHEMBL1643299 | Carbonic anhydrase XII | (p=0.43) |
CHEMBL1643297 | Carbonic anhydrase XII | (p=0.43) | CHEMBL7146 | Carbonic anhydrase IX | (p=0.43) | CHEMBL6633 | Carbonic anhydrase IX | (p=0.4) | CHEMBL316779 | Carbonic anhydrase XII | (p=0.4) |
CHEMBL865 | Cyclooxygenase-2 | (p=0.4) | CHEMBL414 | Carbonic anhydrase IX | (p=0.4) | CHEMBL1643289 | Carbonic anhydrase XII | (p=0.38) | CHEMBL517816 | Cytochrome P450 19A1 | (p=0.37) |
CHEMBL77517 | Carbonic anhydrase I | (p=0.34) | CHEMBL1615280 | Carbonic anhydrase XII | (p=0.34) | CHEMBL1643292 | Carbonic anhydrase XII | (p=0.34) | CHEMBL574782 | Carbonic anhydrase II | (p=0.34) |
CHEMBL1643304 | Carbonic anhydrase XII | (p=0.34) | CHEMBL574783 | Carbonic anhydrase II | (p=0.34) | CHEMBL1615215 | Carbonic anhydrase XII | (p=0.29) | CHEMBL1643301 | Carbonic anhydrase XII | (p=0.29) |
CHEMBL1615281 | Carbonic anhydrase XII | (p=0.29) | CHEMBL573859 | Carbonic anhydrase II | (p=0.29) | CHEMBL1643307 | Carbonic anhydrase XII | (p=0.25) | CHEMBL1643306 | Carbonic anhydrase XII | (p=0.25) |
CHEMBL1643294 | Carbonic anhydrase XII | (p=0.25) | CHEMBL1643290 | Carbonic anhydrase XII | (p=0.25) | CHEMBL1643291 | Carbonic anhydrase XII | (p=0.25) | CHEMBL1643296 | Carbonic anhydrase XII | (p=0.25) |
CHEMBL1614844 | Carbonic anhydrase XII | (p=0.25) | CHEMBL1643295 | Carbonic anhydrase XII | (p=0.25) | CHEMBL25600 | Carbonic anhydrase XII | (p=0.25) | CHEMBL574245 | Carbonic anhydrase II | (p=0.25) |
CHEMBL1165061 | Carbonic anhydrase I | (p=0.25) | CHEMBL523973 | Cytochrome P450 19A1 | (p=0.24) | CHEMBL118 | Cyclooxygenase-2 | (p=0.22) | CHEMBL1643300 | Carbonic anhydrase XII | (p=0.22) |
CHEMBL1446150 | Carbonic anhydrase XII | (p=0.22) | CHEMBL573381 | Carbonic anhydrase II | (p=0.22) | CHEMBL1643298 | Carbonic anhydrase XII | (p=0.2) | CHEMBL1643303 | Carbonic anhydrase XII | (p=0.2) |
CHEMBL1337519 | Carbonic anhydrase XII | (p=0.2) | CHEMBL1643302 | Carbonic anhydrase XII | (p=0.2) | CHEMBL1643293 | Carbonic anhydrase XII | (p=0.18) | CHEMBL582841 | Carbonic anhydrase II | (p=0.17) |
CHEMBL522268 | Adenosine A1 receptor | (p=0.15) | CHEMBL1643305 | Carbonic anhydrase XII | (p=0.13) | CHEMBL561609 | Cyclooxygenase-2 | (p=0.13) |
Score 0.13 | Score 0.09 | Score 0.08 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 | Score 0.06 |
CHEMBL307087 | Tyrosine-protein kinase SRC | (p=0.95) | CHEMBL182201 | Tyrosine-protein kinase SRC | (p=0.95) | CHEMBL178787 | Tyrosine-protein kinase SRC | (p=0.94) | CHEMBL360499 | Tyrosine-protein kinase SRC | (p=0.92) |
CHEMBL360914 | Tyrosine-protein kinase SRC | (p=0.92) | CHEMBL179882 | Tyrosine-protein kinase SRC | (p=0.79) | CHEMBL288441 | Tyrosine-protein kinase SRC | (p=0.65) | CHEMBL67259 | Tyrosine-protein kinase SRC | (p=0.55) |
CHEMBL361205 | Tyrosine-protein kinase SRC | (p=0.5) | CHEMBL526466 | HERG | (p=0.34) | CHEMBL525369 | HERG | (p=0.34) | CHEMBL180299 | Tyrosine-protein kinase SRC | (p=0.24) |
CHEMBL184571 | Serotonin transporter | (p=0.23) | CHEMBL179755 | Tyrosine-protein kinase SRC | (p=0.21) | CHEMBL179955 | Tyrosine-protein kinase SRC | (p=0.19) | CHEMBL1165062 | Carbonic anhydrase I | (p=0.15) |
CHEMBL1643301 | Carbonic anhydrase XII | (p=0.15) | CHEMBL425872 | Tyrosine-protein kinase SRC | (p=0.14) |
Score 0.13 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL1950556 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950484 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950565 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950564 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) |
CHEMBL1950560 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950559 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950575 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950573 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) |
CHEMBL1950563 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1651861 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950562 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950558 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) |
CHEMBL1950561 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950481 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950557 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.95) | CHEMBL1950483 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.91) |
CHEMBL1950482 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.9) | CHEMBL1950568 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.89) | CHEMBL1950566 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.86) | CHEMBL1950570 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.85) |
CHEMBL1950480 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.83) | CHEMBL1950567 | Sphingosine 1-phosphate receptor Edg-1 | (p=0.81) | CHEMBL470171 | Dipeptidyl peptidase IV | (p=0.17) | CHEMBL470170 | Dipeptidyl peptidase IV | (p=0.16) |
CHEMBL471842 | Dipeptidyl peptidase IV | (p=0.16) | CHEMBL471633 | Dipeptidyl peptidase IV | (p=0.14) | CHEMBL512145 | Dipeptidyl peptidase IV | (p=0.12) |
Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 |
CHEMBL475146 | Adenosine A1 receptor | (p=0.96) | CHEMBL515877 | Adenosine A1 receptor | (p=0.96) | CHEMBL475147 | Adenosine A1 receptor | (p=0.95) | CHEMBL522628 | Adenosine A1 receptor | (p=0.95) |
CHEMBL489120 | Adenosine A1 receptor | (p=0.91) | CHEMBL474747 | Adenosine A1 receptor | (p=0.91) | CHEMBL472951 | Adenosine A1 receptor | (p=0.91) | CHEMBL515088 | Adenosine A1 receptor | (p=0.88) |
CHEMBL490723 | Adenosine A1 receptor | (p=0.86) | CHEMBL472952 | Adenosine A1 receptor | (p=0.84) | CHEMBL521742 | Adenosine A1 receptor | (p=0.83) | CHEMBL489321 | Adenosine A1 receptor | (p=0.6) |
CHEMBL489126 | Adenosine A1 receptor | (p=0.34) | CHEMBL491311 | Adenosine A1 receptor | (p=0.25) |
Score 0.13 | Score 0.13 | Score 0.06 | Score 0.06 | Score 0.04 | Score 0.04 | Score 0.04 | Score 0.04 |
CHEMBL1774384 | Dopamine D3 receptor | (p=0.96) | CHEMBL1774542 | Dopamine D3 receptor | (p=0.96) | CHEMBL1774535 | Dopamine D3 receptor | (p=0.95) | CHEMBL1774548 | Dopamine D3 receptor | (p=0.95) |
CHEMBL180010 | Dopamine D3 receptor | (p=0.95) | CHEMBL1627305 | Dopamine D3 receptor | (p=0.94) | CHEMBL1774386 | Dopamine D3 receptor | (p=0.91) | CHEMBL1774539 | Dopamine D3 receptor | (p=0.9) |
CHEMBL139926 | Dopamine D3 receptor | (p=0.9) | CHEMBL1774533 | Dopamine D3 receptor | (p=0.83) | CHEMBL1774552 | Dopamine D3 receptor | (p=0.82) | CHEMBL1774544 | Dopamine D3 receptor | (p=0.82) |
CHEMBL1774383 | Dopamine D3 receptor | (p=0.79) | CHEMBL25236 | Dopamine D3 receptor | (p=0.76) | CHEMBL1774541 | Dopamine D3 receptor | (p=0.76) | CHEMBL1774534 | Dopamine D3 receptor | (p=0.74) |
CHEMBL1774547 | Dopamine D3 receptor | (p=0.72) | CHEMBL1774385 | Dopamine D3 receptor | (p=0.72) | CHEMBL1774066 | Dopamine D2 receptor | (p=0.69) | CHEMBL1774538 | Dopamine D3 receptor | (p=0.69) |
CHEMBL1774532 | Dopamine D3 receptor | (p=0.65) | CHEMBL708 | HERG | (p=0.63) | CHEMBL210537 | HERG | (p=0.6) | CHEMBL1774543 | Dopamine D3 receptor | (p=0.59) |
CHEMBL1774537 | Dopamine D3 receptor | (p=0.57) | CHEMBL1774540 | Dopamine D3 receptor | (p=0.57) | CHEMBL1774065 | Dopamine D2 receptor | (p=0.57) | CHEMBL209821 | HERG | (p=0.56) |
CHEMBL300780 | Dopamine D3 receptor | (p=0.55) | CHEMBL31354 | Serotonin 1a (5-HT1a) receptor | (p=0.53) | CHEMBL1774064 | Dopamine D2 receptor | (p=0.52) | CHEMBL209324 | HERG | (p=0.5) |
CHEMBL1774536 | Dopamine D3 receptor | (p=0.47) | CHEMBL1774546 | Dopamine D3 receptor | (p=0.45) | CHEMBL1774550 | Dopamine D3 receptor | (p=0.41) | CHEMBL1773087 | Dopamine D3 receptor | (p=0.35) |
CHEMBL1774545 | Dopamine D3 receptor | (p=0.34) | CHEMBL1774062 | Dopamine D2 receptor | (p=0.32) | CHEMBL1112 | Dopamine D2 receptor | (p=0.31) | CHEMBL479 | HERG | (p=0.25) |
CHEMBL1088 | HERG | (p=0.25) | CHEMBL75 | HERG | (p=0.25) | CHEMBL1774063 | Dopamine D2 receptor | (p=0.18) | CHEMBL476102 | Cannabinoid CB2 receptor | (p=0.14) |
CHEMBL214607 | Vanilloid receptor | (p=0.1) | CHEMBL1089735 | Beta-2 adrenergic receptor | (p=0.1) |
Score 0.24 | Score 0.20 | Score 0.19 | Score 0.08 | Score 0.08 | Score 0.05 | Score 0.02 | Score 0.02 |
CHEMBL1163536 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.26) | CHEMBL1164070 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.24) | CHEMBL317520 | HERG | (p=0.24) | CHEMBL1163811 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.18) |
CHEMBL1163768 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.18) | CHEMBL1163764 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.18) | CHEMBL1163672 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.16) | CHEMBL1164745 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.16) |
CHEMBL1163721 | 11-beta-hydroxysteroid dehydrogenase 1 | (p=0.16) | CHEMBL1951342 | Cytochrome P450 3A4 | (p=0.15) | CHEMBL1615281 | Carbonic anhydrase XII | (p=0.15) | CHEMBL1951343 | Cytochrome P450 3A4 | (p=0.14) |
CHEMBL1173353 | Norepinephrine transporter | (p=0.13) | CHEMBL1163599 | Carbonic anhydrase I | (p=0.13) | CHEMBL1729 | HERG | (p=0.11) |
Score 0.08 | Score 0.08 | Score 0.06 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.05 | Score 0.04 |
CHEMBL1774084 | Dopamine D2 receptor | (p=0.96) | CHEMBL1774068 | Dopamine D2 receptor | (p=0.96) | CHEMBL1774073 | Dopamine D2 receptor | (p=0.96) | CHEMBL1774067 | Dopamine D2 receptor | (p=0.96) |
CHEMBL1774075 | Dopamine D2 receptor | (p=0.96) | CHEMBL1774072 | Dopamine D2 receptor | (p=0.96) | CHEMBL1774083 | Dopamine D2 receptor | (p=0.93) | CHEMBL1774069 | Dopamine D2 receptor | (p=0.92) |
CHEMBL1774071 | Dopamine D2 receptor | (p=0.92) | CHEMBL1774070 | Dopamine D2 receptor | (p=0.92) | CHEMBL1774076 | Dopamine D2 receptor | (p=0.91) | CHEMBL1774077 | Dopamine D2 receptor | (p=0.91) |
CHEMBL1774087 | Dopamine D2 receptor | (p=0.89) | CHEMBL1774074 | Dopamine D2 receptor | (p=0.89) | CHEMBL1774078 | Dopamine D2 receptor | (p=0.88) | CHEMBL1774079 | Dopamine D2 receptor | (p=0.87) |
CHEMBL1774082 | Dopamine D2 receptor | (p=0.86) | CHEMBL1774080 | Dopamine D2 receptor | (p=0.85) | CHEMBL1774085 | Dopamine D2 receptor | (p=0.85) | CHEMBL1774086 | Dopamine D2 receptor | (p=0.83) |
CHEMBL1774081 | Dopamine D2 receptor | (p=0.82) | CHEMBL1774063 | Dopamine D2 receptor | (p=0.78) | CHEMBL1774062 | Dopamine D2 receptor | (p=0.63) | CHEMBL1112 | Dopamine D2 receptor | (p=0.51) |
CHEMBL1774064 | Dopamine D2 receptor | (p=0.43) | CHEMBL526466 | HERG | (p=0.34) | CHEMBL525369 | HERG | (p=0.34) | CHEMBL1774065 | Dopamine D2 receptor | (p=0.33) |
CHEMBL1774066 | Dopamine D2 receptor | (p=0.25) | CHEMBL288441 | Tyrosine-protein kinase SRC | (p=0.25) | CHEMBL1729 | HERG | (p=0.22) | CHEMBL54 | HERG | (p=0.22) |
CHEMBL1643307 | Carbonic anhydrase XII | (p=0.13) | CHEMBL550126 | Cyclooxygenase-2 | (p=0.11) | CHEMBL1643298 | Carbonic anhydrase XII | (p=0.1) |
Score 0.33 | Score 0.07 |
CHEMBL582965 | Carbonic anhydrase II | (p=0.15) | CHEMBL574782 | Carbonic anhydrase II | (p=0.11) | CHEMBL573127 | Carbonic anhydrase II | (p=0.11) |