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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: O95718
No. Gene UniProt ID Protein Name Pathway PDB
1 ESRRB O95718 Steroid hormone receptor ERR2 hsa04550 1LO1


3 known interactions (drugs) of input target (ESRRB): Steroid hormone receptor ERR2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Experimental		 SmallMoleculeDrug DB07776 Flavone Thumb
2 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb


20 predicted interactions (drugs) of input target (ESRRB): Steroid hormone receptor ERR2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb 39.1%
2 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb 38.9%
3 Experimental SmallMoleculeDrug DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE Thumb 25.7%
4 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb 25.5%
5 Investigational;
Withdrawn		 SmallMoleculeDrug DB00197 Troglitazone Thumb 25.3%
6 Approved;
Vet approved		 SmallMoleculeDrug DB00396 Progesterone Thumb 25.3%
7 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb 25.0%
8 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb 24.7%
9 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb 24.0%
10 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb 23.4%
11 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb 22.5%
12 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 22.4%
13 Investigational SmallMoleculeDrug DB02342 2-Methoxyestradiol Thumb 21.7%
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb 21.6%
15 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb 21.6%
16 Approved SmallMoleculeDrug DB00655 Estrone Thumb 21.3%
17 Experimental SmallMoleculeDrug DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Thumb 20.9%
18 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 20.6%
19 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 20.4%
20 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb 20.3%


  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.