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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: Q01064
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW


6 known interactions (drugs) of input target (PDE1B): Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB04530 S,S-(2-Hydroxyethyl)Thiocysteine Thumb
2 Approved;
Investigational
SmallMoleculeDrug DB01023 Felodipine Thumb
3 Approved;
Withdrawn
SmallMoleculeDrug DB01244 Bepridil Thumb
4 Approved;
Investigational
SmallMoleculeDrug DB00622 Nicardipine Thumb
5 Approved SmallMoleculeDrug DB00201 Caffeine Thumb
6 Approved SmallMoleculeDrug DB09283 Trapidil Thumb


20 predicted interactions (drugs) of input target (PDE1B): Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Experimental SmallMoleculeDrug DB07954 3-isobutyl-1-methyl-7H-xanthine Thumb 38.1%
2 Approved;
Investigational
SmallMoleculeDrug DB00270 Isradipine Thumb 36.4%
3 Approved SmallMoleculeDrug DB01115 Nifedipine Thumb 35.7%
4 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb 35.4%
5 Approved;
Investigational
SmallMoleculeDrug DB01054 Nitrendipine Thumb 32.6%
6 Approved;
Investigational
SmallMoleculeDrug DB00568 Cinnarizine Thumb 31.2%
7 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 30.9%
8 Approved SmallMoleculeDrug DB00308 Ibutilide Thumb 30.4%
9 Approved SmallMoleculeDrug DB00401 Nisoldipine Thumb 30.0%
10 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 29.8%
11 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb 28.7%
12 Approved SmallMoleculeDrug DB00825 Menthol Thumb 28.5%
13 Approved;
Experimental
SmallMoleculeDrug DB13746 Bioallethrin Thumb 26.8%
14 Approved;
Investigational
SmallMoleculeDrug DB01593 Zinc Thumb 26.8%
15 Approved SmallMoleculeDrug DB04855 Dronedarone Thumb 26.5%
16 Approved;
Investigational
SmallMoleculeDrug DB00393 Nimodipine Thumb 25.9%
17 Approved;
Investigational
SmallMoleculeDrug DB00922 Levosimendan Thumb 25.7%
18 Approved SmallMoleculeDrug DB00836 Loperamide Thumb 25.6%
19 Approved;
Investigational
SmallMoleculeDrug DB00831 Trifluoperazine Thumb 25.5%
20 Approved SmallMoleculeDrug DB04841 Flunarizine Thumb 25.2%



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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.