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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: P62508
No. Gene UniProt ID Protein Name Pathway PDB
1 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC


15 known interactions (drugs) of input target (ESRRG): Estrogen-related receptor gamma
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb
2 Experimental SmallMoleculeDrug DB07485 4,4'-cyclohexane-1,1-diyldiphenol Thumb
3 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
5 Experimental SmallMoleculeDrug DB06902 4-(1-methyl-1-phenylethyl)phenol Thumb
6 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb
7 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb
8 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb
9 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
10 Experimental SmallMoleculeDrug DB06973 4,4'-PROPANE-2,2-DIYLDIPHENOL Thumb
11 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb
12 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb
13 Investigational;
Withdrawn		 SmallMoleculeDrug DB00197 Troglitazone Thumb
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb
15 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb


20 predicted interactions (drugs) of input target (ESRRG): Estrogen-related receptor gamma
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB01645 Genistein Thumb 61.6%
2 Approved;
Investigational		 SmallMoleculeDrug DB00481 Raloxifene Thumb 37.7%
3 Approved SmallMoleculeDrug DB00655 Estrone Thumb 37.1%
4 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb 36.7%
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb 36.0%
6 Investigational SmallMoleculeDrug DB05939 MK-0354 Thumb 35.5%
7 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 35.4%
8 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb 35.2%
9 Approved;
Investigational		 SmallMoleculeDrug DB00564 Carbamazepine Thumb 34.7%
10 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 33.1%
11 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 32.0%
12 Experimental SmallMoleculeDrug DB03882 5-Alpha-Androstane-3-Beta,17beta-Diol Thumb 31.6%
13 Approved;
Investigational		 SmallMoleculeDrug DB00834 Mifepristone Thumb 31.0%
14 Experimental SmallMoleculeDrug DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE Thumb 30.4%
15 Experimental SmallMoleculeDrug DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol Thumb 30.2%
16 Investigational SmallMoleculeDrug DB05052 MF101 Thumb 30.2%
17 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb 29.4%
18 Investigational SmallMoleculeDrug DB05966 TAS-108 Thumb 29.1%
19 Investigational SmallMoleculeDrug DB11674 Equol Thumb 28.0%
20 Approved SmallMoleculeDrug DB06777 Chenodeoxycholic acid Thumb 27.7%


  logl

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.