QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: P14625
No. Gene UniProt ID Protein Name Pathway PDB
1 HSP90B1 P14625 Endoplasmin hsa04141; hsa04151; hsa04657; hsa04915; hsa04918; hsa05200; hsa05215; hsa05418 4NH9


9 known interactions (drugs) of input target (HSP90B1): Endoplasmin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02935 Diglyme Thumb
2 Experimental;
Investigational		 SmallMoleculeDrug DB02424 Geldanamycin Thumb
3 Experimental SmallMoleculeDrug DB08465 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB09130 Copper Thumb
5 Experimental SmallMoleculeDrug DB08464 METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE Thumb
6 Experimental SmallMoleculeDrug DB03719 N-Ethyl-5'-Carboxamido Adenosine Thumb
7 Experimental SmallMoleculeDrug DB02103 2-Chlorodideoxyadenosine Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB00615 Rifabutin Thumb
9 Experimental SmallMoleculeDrug DB03758 Radicicol Thumb


20 predicted interactions (drugs) of input target (HSP90B1): Endoplasmin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 43.1%
2 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 40.1%
3 Investigational SmallMoleculeDrug DB06070 SNX-5422 Thumb 30.0%
4 Approved;
Investigational		 SmallMoleculeDrug DB09221 Polaprezinc Thumb 27.3%
5 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 26.8%
6 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 25.2%
7 Experimental SmallMoleculeDrug DB08292 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE Thumb 24.4%
8 Approved;
Investigational		 SmallMoleculeDrug DB02325 Isopropyl Alcohol Thumb 24.1%
9 Experimental SmallMoleculeDrug DB02754 9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine Thumb 23.8%
10 Experimental SmallMoleculeDrug DB07877 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE Thumb 22.7%
11 Experimental SmallMoleculeDrug DB08045 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL Thumb 22.3%
12 Experimental SmallMoleculeDrug DB07594 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL Thumb 21.7%
13 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb 21.4%
14 Approved;
Investigational		 SmallMoleculeDrug DB00242 Cladribine Thumb 21.2%
15 Experimental SmallMoleculeDrug DB08346 (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE Thumb 21.1%
16 Investigational SmallMoleculeDrug DB05134 Tanespimycin Thumb 21.0%
17 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00121 Biotin Thumb 20.8%
18 Experimental SmallMoleculeDrug DB06956 N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE Thumb 20.4%
19 Experimental SmallMoleculeDrug DB02153 3-Sulfinoalanine Thumb 20.2%
20 Approved;
Investigational		 BiotechDrug DB13161 Nusinersen Thumb 19.3%


  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.