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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: P11474
No. Gene UniProt ID Protein Name Pathway PDB
1 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P


7 known interactions (drugs) of input target (ESRRA): Steroid hormone receptor ERR1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb
2 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb
3 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
4 Experimental SmallMoleculeDrug DB06833 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE Thumb
5 Approved;
Experimental		 SmallMoleculeDrug DB07776 Flavone Thumb
6 Investigational;
Withdrawn		 SmallMoleculeDrug DB00197 Troglitazone Thumb
7 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb


20 predicted interactions (drugs) of input target (ESRRA): Steroid hormone receptor ERR1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb 35.2%
2 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb 35.2%
3 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb 35.0%
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb 34.8%
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb 33.3%
6 Approved SmallMoleculeDrug DB00655 Estrone Thumb 32.8%
7 Investigational SmallMoleculeDrug DB02342 2-Methoxyestradiol Thumb 31.7%
8 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00783 Estradiol Thumb 31.4%
9 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb 30.6%
10 Approved;
Investigational		 SmallMoleculeDrug DB00481 Raloxifene Thumb 29.3%
11 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 28.8%
12 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb 26.6%
13 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb 26.3%
14 Approved;
Investigational		 SmallMoleculeDrug DB01393 Bezafibrate Thumb 26.1%
15 Experimental SmallMoleculeDrug DB06902 4-(1-methyl-1-phenylethyl)phenol Thumb 26.0%
16 Approved;
Vet approved		 SmallMoleculeDrug DB00396 Progesterone Thumb 25.6%
17 Approved SmallMoleculeDrug DB09371 Norethynodrel Thumb 24.8%
18 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb 24.6%
19 Approved;
Investigational		 SmallMoleculeDrug DB00583 L-Carnitine Thumb 24.6%
20 Experimental SmallMoleculeDrug DB07485 4,4'-cyclohexane-1,1-diyldiphenol Thumb 24.2%


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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.