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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: P03372
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224


111 known interactions (drugs) of input target (ESR1): Estrogen receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb
2 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
3 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb
4 Approved;
Illicit		 SmallMoleculeDrug DB01185 Fluoxymesterone Thumb
5 Experimental SmallMoleculeDrug DB08737 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL Thumb
6 Experimental SmallMoleculeDrug DB07638 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Thumb
7 Experimental SmallMoleculeDrug DB06927 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE Thumb
8 Experimental SmallMoleculeDrug DB07712 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Thumb
9 Approved;
Investigational		 SmallMoleculeDrug DB00957 Norgestimate Thumb
10 Experimental SmallMoleculeDrug DB07678 (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL Thumb
11 Approved;
Investigational		 SmallMoleculeDrug DB04938 Ospemifene Thumb
12 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb
13 Approved SmallMoleculeDrug DB01406 Danazol Thumb
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb
15 Approved SmallMoleculeDrug DB11619 Gestrinone Thumb
16 Approved;
Investigational		 SmallMoleculeDrug DB00367 Levonorgestrel Thumb
17 Experimental SmallMoleculeDrug DB08048 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL Thumb
18 Approved SmallMoleculeDrug DB09371 Norethynodrel Thumb
19 Experimental SmallMoleculeDrug DB08020 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Thumb
20 Approved;
Investigational		 SmallMoleculeDrug DB06202 Lasofoxifene Thumb
21 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb
22 Approved SmallMoleculeDrug DB00655 Estrone Thumb
23 Approved SmallMoleculeDrug DB01357 Mestranol Thumb
24 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb
25 Investigational SmallMoleculeDrug DB05882 CHF 4227 Thumb
26 Illicit;
Investigational		 SmallMoleculeDrug DB02901 Stanolone Thumb
27 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb
28 Approved SmallMoleculeDrug DB09318 Synthetic Conjugated Estrogens, B Thumb
29 Experimental SmallMoleculeDrug DB02757 Pyrazole Thumb
30 Experimental SmallMoleculeDrug DB06898 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol Thumb
31 Approved SmallMoleculeDrug DB09086 Eugenol Thumb
32 Approved SmallMoleculeDrug DB09317 Synthetic Conjugated Estrogens, A Thumb
33 Experimental SmallMoleculeDrug DB08595 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb
34 Experimental SmallMoleculeDrug DB08773 RALOXIFENE CORE Thumb
35 Approved;
Investigational		 SmallMoleculeDrug DB00603 Medroxyprogesterone acetate Thumb
36 Approved SmallMoleculeDrug DB01428 Oxybenzone Thumb
37 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb
38 Experimental SmallMoleculeDrug DB08320 DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE Thumb
39 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb
40 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb
41 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
42 Approved;
Investigational		 SmallMoleculeDrug DB00947 Fulvestrant Thumb
43 Investigational SmallMoleculeDrug DB12450 Propyl Gallate Thumb
44 Approved;
Investigational		 SmallMoleculeDrug DB00624 Testosterone Thumb
45 Approved SmallMoleculeDrug DB13943 Testosterone cypionate Thumb
46 Approved;
Investigational		 SmallMoleculeDrug DB09535 Octocrylene Thumb
47 Approved;
Vet approved		 SmallMoleculeDrug DB00396 Progesterone Thumb
48 Approved;
Investigational		 SmallMoleculeDrug DB11064 Homosalate Thumb
49 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb
50 Experimental SmallMoleculeDrug DB07086 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb
51 Experimental SmallMoleculeDrug DB06871 17-METHYL-17-ALPHA-DIHYDROEQUILENIN Thumb
52 Experimental SmallMoleculeDrug DB07991 N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE Thumb
53 Experimental SmallMoleculeDrug DB02715 Compound 18 Thumb
54 Approved;
Investigational		 SmallMoleculeDrug DB00890 Dienestrol Thumb
55 Experimental SmallMoleculeDrug DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol Thumb
56 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
57 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb
58 Experimental SmallMoleculeDrug DB07567 (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL Thumb
59 Approved SmallMoleculeDrug DB11219 Enzacamene Thumb
60 Investigational SmallMoleculeDrug DB05662 NP-50301 Thumb
61 Experimental SmallMoleculeDrug DB02615 Compound 19 Thumb
62 Approved;
Investigational		 SmallMoleculeDrug DB00882 Clomifene Thumb
63 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb
64 Approved SmallMoleculeDrug DB06710 Methyltestosterone Thumb
65 Approved;
Investigational		 SmallMoleculeDrug DB00294 Etonogestrel Thumb
66 Approved;
Investigational		 SmallMoleculeDrug DB00539 Toremifene Thumb
67 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb
68 Experimental;
Investigational		 SmallMoleculeDrug DB07933 Erteberel Thumb
69 Approved;
Investigational		 SmallMoleculeDrug DB01196 Estramustine Thumb
70 Approved SmallMoleculeDrug DB02187 Equilin Thumb
71 Approved SmallMoleculeDrug DB00823 Ethynodiol diacetate Thumb
72 Approved SmallMoleculeDrug DB04575 Quinestrol Thumb
73 Experimental SmallMoleculeDrug DB03742 Compound 4-D Thumb
74 Experimental SmallMoleculeDrug DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate Thumb
75 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb
76 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb
77 Experimental SmallMoleculeDrug DB08047 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol Thumb
78 Approved SmallMoleculeDrug DB04574 Estrone sulfate Thumb
79 Approved;
Withdrawn		 SmallMoleculeDrug DB00756 Hexachlorophene Thumb
80 Investigational SmallMoleculeDrug DB08398 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine Thumb
81 Approved;
Investigational		 SmallMoleculeDrug DB06401 Bazedoxifene Thumb
82 Approved SmallMoleculeDrug DB00841 Dobutamine Thumb
83 Investigational;
Withdrawn		 SmallMoleculeDrug DB00269 Chlorotrianisene Thumb
84 Approved;
Investigational		 SmallMoleculeDrug DB09070 Tibolone Thumb
85 Approved SmallMoleculeDrug DB01878 Benzophenone Thumb
86 Approved SmallMoleculeDrug DB00648 Mitotane Thumb
87 Investigational SmallMoleculeDrug DB05233 AP1081 Thumb
88 Approved;
Investigational		 SmallMoleculeDrug DB13946 Testosterone undecanoate Thumb
89 Investigational SmallMoleculeDrug DB05487 Custirsen Thumb
90 Approved SmallMoleculeDrug DB01431 Allylestrenol Thumb
91 Investigational SmallMoleculeDrug DB05966 TAS-108 Thumb
92 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb
93 Experimental SmallMoleculeDrug DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Thumb
94 Approved;
Investigational		 SmallMoleculeDrug DB00481 Raloxifene Thumb
95 Approved SmallMoleculeDrug DB13944 Testosterone enanthate Thumb
96 Approved SmallMoleculeDrug DB00304 Desogestrel Thumb
97 Experimental SmallMoleculeDrug DB03802 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol Thumb
98 Approved SmallMoleculeDrug DB00286 Conjugated estrogens Thumb
99 Experimental SmallMoleculeDrug DB04471 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol Thumb
100 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
101 Experimental SmallMoleculeDrug DB07707 (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL Thumb
102 Approved;
Investigational		 SmallMoleculeDrug DB04930 Permethrin Thumb
103 Approved;
Investigational;
Vet approved;
Withdrawn		 SmallMoleculeDrug DB01108 Trilostane Thumb
104 Approved;
Investigational		 SmallMoleculeDrug DB06249 Arzoxifene Thumb
105 Experimental SmallMoleculeDrug DB07195 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb
106 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb
107 Approved;
Vet approved		 SmallMoleculeDrug DB01183 Naloxone Thumb
108 Approved SmallMoleculeDrug DB09369 Polyestradiol phosphate Thumb
109 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb
110 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb
111 Experimental SmallMoleculeDrug DB13951 Stanolone acetate Thumb


20 predicted interactions (drugs) of input target (ESR1): Estrogen receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB02998 Methyltrienolone Thumb 77.7%
2 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 65.8%
3 Investigational SmallMoleculeDrug DB11674 Equol Thumb 65.7%
4 Approved;
Investigational		 SmallMoleculeDrug DB09130 Copper Thumb 63.3%
5 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 61.5%
6 Experimental SmallMoleculeDrug DB07557 (5BETA)-PREGNANE-3,20-DIONE Thumb 52.8%
7 Investigational SmallMoleculeDrug DB05052 MF101 Thumb 52.8%
8 Experimental SmallMoleculeDrug DB07032 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL Thumb 52.1%
9 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 50.9%
10 Experimental SmallMoleculeDrug DB07119 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL Thumb 50.6%
11 Experimental SmallMoleculeDrug DB03882 5-Alpha-Androstane-3-Beta,17beta-Diol Thumb 49.8%
12 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb 49.6%
13 Experimental SmallMoleculeDrug DB08601 tributylstannanyl Thumb 48.7%
14 Experimental SmallMoleculeDrug DB07198 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE Thumb 47.9%
15 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb 47.4%
16 Experimental SmallMoleculeDrug DB06832 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL Thumb 45.8%
17 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 45.8%
18 Experimental SmallMoleculeDrug DB08402 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID Thumb 45.6%
19 Approved;
Investigational		 SmallMoleculeDrug DB00583 L-Carnitine Thumb 45.5%
20 Approved SmallMoleculeDrug DB09389 Norgestrel Thumb 45.1%


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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.

Contact:

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.