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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: Q9NYX4
No. Gene UniProt ID Protein Name Pathway PDB
1 CALY Q9NYX4 Neuron-specific vesicular protein calcyon hsa04728 NA


5 known interactions (drugs) of input target (CALY): Neuron-specific vesicular protein calcyon
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Investigational SmallMoleculeDrug DB05432 DAS-431 IV Thumb
2 Approved SmallMoleculeDrug DB00363 Clozapine Thumb
3 Approved;
Investigational
SmallMoleculeDrug DB00831 Trifluoperazine Thumb
4 Investigational SmallMoleculeDrug DB05419 ADX-10061 Thumb
5 Approved;
Investigational
SmallMoleculeDrug DB00714 Apomorphine Thumb


20 predicted interactions (drugs) of input target (CALY): Neuron-specific vesicular protein calcyon
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB00246 Ziprasidone Thumb 52.7%
2 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00477 Chlorpromazine Thumb 51.5%
3 Approved;
Investigational
SmallMoleculeDrug DB13025 Tiapride Thumb 50.2%
4 Approved;
Investigational
SmallMoleculeDrug DB14185 Aripiprazole lauroxil Thumb 47.1%
5 Approved;
Investigational
SmallMoleculeDrug DB00622 Nicardipine Thumb 47.0%
6 Approved SmallMoleculeDrug DB00543 Amoxapine Thumb 46.9%
7 Approved;
Investigational
SmallMoleculeDrug DB01238 Aripiprazole Thumb 45.7%
8 Approved;
Investigational
SmallMoleculeDrug DB00413 Pramipexole Thumb 45.4%
9 Approved;
Experimental
SmallMoleculeDrug DB13345 Dihydroergocristine Thumb 45.3%
10 Approved;
Investigational
SmallMoleculeDrug DB06148 Mianserin Thumb 45.2%
11 Approved SmallMoleculeDrug DB01267 Paliperidone Thumb 44.5%
12 Approved;
Investigational;
Withdrawn
SmallMoleculeDrug DB06144 Sertindole Thumb 44.2%
13 Approved;
Investigational
SmallMoleculeDrug DB00589 Lisuride Thumb 43.9%
14 Approved SmallMoleculeDrug DB01049 Ergoloid mesylate Thumb 43.8%
15 Approved;
Investigational
SmallMoleculeDrug DB00334 Olanzapine Thumb 43.8%
16 Approved;
Investigational
SmallMoleculeDrug DB01142 Doxepin Thumb 43.0%
17 Approved;
Investigational
SmallMoleculeDrug DB00268 Ropinirole Thumb 42.9%
18 Approved;
Investigational
SmallMoleculeDrug DB01200 Bromocriptine Thumb 42.9%
19 Approved SmallMoleculeDrug DB01224 Quetiapine Thumb 42.8%
20 Approved;
Investigational
SmallMoleculeDrug DB01403 Methotrimeprazine Thumb 42.6%



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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.