QuartataWeb
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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: P17405
No. Gene UniProt ID Protein Name Pathway PDB
1 SMPD1 P17405 Sphingomyelin phosphodiesterase hsa00600; hsa01100; hsa04071; hsa04142; hsa04217 NA


3 known interactions (drugs) of input target (SMPD1): Sphingomyelin phosphodiesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00477 Chlorpromazine Thumb
2 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB01151 Desipramine Thumb


20 predicted interactions (drugs) of input target (SMPD1): Sphingomyelin phosphodiesterase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb 54.7%
2 Approved;
Investigational		 SmallMoleculeDrug DB01142 Doxepin Thumb 52.1%
3 Approved SmallMoleculeDrug DB00363 Clozapine Thumb 51.8%
4 Approved SmallMoleculeDrug DB00408 Loxapine Thumb 51.8%
5 Approved SmallMoleculeDrug DB00543 Amoxapine Thumb 51.2%
6 Approved;
Investigational		 SmallMoleculeDrug DB00334 Olanzapine Thumb 49.9%
7 Approved SmallMoleculeDrug DB00726 Trimipramine Thumb 48.5%
8 Approved SmallMoleculeDrug DB00540 Nortriptyline Thumb 47.9%
9 Approved;
Investigational		 SmallMoleculeDrug DB00934 Maprotiline Thumb 46.4%
10 Withdrawn SmallMoleculeDrug DB09194 Etoperidone Thumb 46.3%
11 Approved SmallMoleculeDrug DB06216 Asenapine Thumb 46.2%
12 Approved SmallMoleculeDrug DB09167 Dosulepin Thumb 45.0%
13 Approved SmallMoleculeDrug DB01224 Quetiapine Thumb 43.8%
14 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 42.8%
15 Approved;
Investigational;
Withdrawn		 SmallMoleculeDrug DB01239 Chlorprothixene Thumb 42.8%
16 Approved SmallMoleculeDrug DB00458 Imipramine Thumb 42.7%
17 Approved;
Vet approved		 SmallMoleculeDrug DB00420 Promazine Thumb 42.7%
18 Approved;
Investigational		 SmallMoleculeDrug DB01238 Aripiprazole Thumb 42.6%
19 Approved;
Investigational		 SmallMoleculeDrug DB09229 Aranidipine Thumb 42.6%
20 Approved SmallMoleculeDrug DB06153 Pizotifen Thumb 42.6%


  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.