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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q92731
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224

55 known interactions (drugs) of input target (ESR2): Estrogen receptor beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB07702 (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL Thumb
2 Approved;
SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb
3 Approved;
Vet approved
SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
4 Approved SmallMoleculeDrug DB01428 Oxybenzone Thumb
5 Experimental;
SmallMoleculeDrug DB04216 Quercetin Thumb
6 Experimental SmallMoleculeDrug DB04020 4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol Thumb
7 Approved;
Vet approved
SmallMoleculeDrug DB04573 Estriol Thumb
8 Experimental SmallMoleculeDrug DB07638 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Thumb
9 Experimental SmallMoleculeDrug DB07032 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL Thumb
10 Approved SmallMoleculeDrug DB09086 Eugenol Thumb
11 Experimental SmallMoleculeDrug DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE Thumb
12 Experimental SmallMoleculeDrug DB07757 (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one Thumb
13 Investigational SmallMoleculeDrug DB05966 TAS-108 Thumb
14 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb
15 Approved;
SmallMoleculeDrug DB00481 Raloxifene Thumb
16 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb
17 Experimental;
SmallMoleculeDrug DB07933 Erteberel Thumb
18 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb
19 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
20 Experimental SmallMoleculeDrug DB06875 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE Thumb
21 Experimental SmallMoleculeDrug DB07036 (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol Thumb
22 Approved;
SmallMoleculeDrug DB01196 Estramustine Thumb
23 Experimental SmallMoleculeDrug DB07230 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE Thumb
24 Experimental SmallMoleculeDrug DB08020 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Thumb
25 Investigational SmallMoleculeDrug DB05052 MF101 Thumb
26 Approved;
SmallMoleculeDrug DB06202 Lasofoxifene Thumb
27 Investigational SmallMoleculeDrug DB05882 CHF 4227 Thumb
28 Experimental SmallMoleculeDrug DB06832 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL Thumb
29 Experimental SmallMoleculeDrug DB07198 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE Thumb
30 Approved;
SmallMoleculeDrug DB09535 Octocrylene Thumb
31 Approved SmallMoleculeDrug DB00655 Estrone Thumb
32 Approved;
Vet approved
SmallMoleculeDrug DB13956 Estradiol valerate Thumb
33 Experimental SmallMoleculeDrug DB03860 N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide Thumb
34 Experimental SmallMoleculeDrug DB07236 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL Thumb
35 Approved;
SmallMoleculeDrug DB01708 Prasterone Thumb
36 Approved;
Vet approved;
SmallMoleculeDrug DB01108 Trilostane Thumb
37 Approved;
SmallMoleculeDrug DB06249 Arzoxifene Thumb
38 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb
39 Experimental SmallMoleculeDrug DB07150 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME Thumb
40 Experimental SmallMoleculeDrug DB07009 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL Thumb
41 Approved;
Vet approved
SmallMoleculeDrug DB13952 Estradiol acetate Thumb
42 Experimental SmallMoleculeDrug DB02983 Para-Mercury-Benzenesulfonic Acid Thumb
43 Experimental SmallMoleculeDrug DB06937 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL Thumb
44 Approved SmallMoleculeDrug DB04574 Estrone sulfate Thumb
45 Investigational SmallMoleculeDrug DB11674 Equol Thumb
46 Experimental SmallMoleculeDrug DB02757 Pyrazole Thumb
47 Experimental SmallMoleculeDrug DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol Thumb
48 Approved;
Vet approved
SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
49 Experimental SmallMoleculeDrug DB03882 5-Alpha-Androstane-3-Beta,17beta-Diol Thumb
50 Approved;
Vet approved
SmallMoleculeDrug DB00783 Estradiol Thumb
51 Approved;
SmallMoleculeDrug DB06401 Bazedoxifene Thumb
52 Experimental SmallMoleculeDrug DB07119 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL Thumb
53 Approved SmallMoleculeDrug DB01878 Benzophenone Thumb
54 Approved SmallMoleculeDrug DB11219 Enzacamene Thumb
55 Approved;
Vet approved
SmallMoleculeDrug DB13953 Estradiol benzoate Thumb

20 predicted interactions (drugs) of input target (ESR2): Estrogen receptor beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
SmallMoleculeDrug DB00431 Lindane Thumb 70.5%
2 Approved SmallMoleculeDrug DB09371 Norethynodrel Thumb 59.7%
3 Approved;
SmallMoleculeDrug DB00294 Etonogestrel Thumb 54.7%
4 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb 54.0%
5 Approved SmallMoleculeDrug DB11619 Gestrinone Thumb 52.8%
6 Approved;
SmallMoleculeDrug DB01593 Zinc Thumb 52.5%
7 Experimental SmallMoleculeDrug DB04471 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol Thumb 52.4%
8 Approved;
SmallMoleculeDrug DB04824 Phenolphthalein Thumb 52.2%
9 Approved SmallMoleculeDrug DB09318 Synthetic Conjugated Estrogens, B Thumb 51.8%
10 Approved SmallMoleculeDrug DB00648 Mitotane Thumb 51.6%
11 Approved SmallMoleculeDrug DB01357 Mestranol Thumb 49.8%
12 Experimental SmallMoleculeDrug DB08595 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb 49.1%
13 Approved SmallMoleculeDrug DB09369 Polyestradiol phosphate Thumb 49.1%
14 Approved;
SmallMoleculeDrug DB11064 Homosalate Thumb 49.1%
15 Approved;
Vet approved
SmallMoleculeDrug DB00396 Progesterone Thumb 48.8%
16 Experimental SmallMoleculeDrug DB07087 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb 48.6%
17 Approved SmallMoleculeDrug DB00823 Ethynodiol diacetate Thumb 48.5%
19 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 47.7%
20 Experimental SmallMoleculeDrug DB07678 (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL Thumb 47.6%


Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.


The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.