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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: P04278
No. Gene UniProt ID Protein Name Pathway PDB
1 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW


24 known interactions (drugs) of input target (SHBG): Sex hormone-binding globulin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb
2 Experimental SmallMoleculeDrug DB04429 4'-Hydroxyflavanone Thumb
3 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB00882 Clomifene Thumb
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04573 Estriol Thumb
6 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB00539 Toremifene Thumb
8 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb
9 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb
10 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
11 Approved SmallMoleculeDrug DB11619 Gestrinone Thumb
12 Approved;
Investigational		 SmallMoleculeDrug DB00367 Levonorgestrel Thumb
13 Approved SmallMoleculeDrug DB09371 Norethynodrel Thumb
14 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb
15 Approved SmallMoleculeDrug DB00655 Estrone Thumb
16 Approved;
Vet approved		 SmallMoleculeDrug DB00396 Progesterone Thumb
17 Approved SmallMoleculeDrug DB01094 Hesperetin Thumb
18 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb
19 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb
20 Approved SmallMoleculeDrug DB11221 Dioxybenzone Thumb
21 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb
22 Investigational SmallMoleculeDrug DB11674 Equol Thumb
23 Approved;
Investigational		 SmallMoleculeDrug DB00890 Dienestrol Thumb
24 Approved;
Investigational		 SmallMoleculeDrug DB00179 Masoprocol Thumb


20 predicted interactions (drugs) of input target (SHBG): Sex hormone-binding globulin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Withdrawn SmallMoleculeDrug DB07931 Hexestrol Thumb 51.2%
2 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13954 Estradiol cypionate Thumb 50.1%
3 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb 49.1%
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13953 Estradiol benzoate Thumb 48.4%
5 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb 47.2%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 47.0%
7 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb 46.1%
8 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb 45.9%
9 Approved;
Illicit		 SmallMoleculeDrug DB01185 Fluoxymesterone Thumb 45.2%
10 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 44.0%
11 Experimental SmallMoleculeDrug DB06732 beta-Naphthoflavone Thumb 44.0%
12 Approved;
Investigational		 SmallMoleculeDrug DB13946 Testosterone undecanoate Thumb 43.6%
13 Investigational SmallMoleculeDrug DB05233 AP1081 Thumb 43.3%
14 Experimental SmallMoleculeDrug DB13951 Stanolone acetate Thumb 42.5%
15 Approved SmallMoleculeDrug DB01406 Danazol Thumb 42.5%
16 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13952 Estradiol acetate Thumb 42.4%
17 Experimental SmallMoleculeDrug DB07708 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Thumb 42.1%
18 Investigational SmallMoleculeDrug DB05882 CHF 4227 Thumb 41.9%
19 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb 41.8%
20 Approved SmallMoleculeDrug DB01428 Oxybenzone Thumb 41.6%


  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.