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: Q70Z44
No. Gene UniProt ID Protein Name Pathway PDB
1 HTR3D Q70Z44 5-hydroxytryptamine receptor 3D hsa04726; hsa04742 NA


6 known interactions (drugs) of input target (HTR3D): 5-hydroxytryptamine receptor 3D
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB13025 Tiapride Thumb
2 Approved SmallMoleculeDrug DB11273 Dihydroergocornine Thumb
3 Approved SmallMoleculeDrug DB01049 Ergoloid mesylate Thumb
4 Approved SmallMoleculeDrug DB09304 Setiptiline Thumb
5 Approved;
Experimental
SmallMoleculeDrug DB13345 Dihydroergocristine Thumb
6 Approved SmallMoleculeDrug DB00898 Ethanol Thumb


20 predicted interactions (drugs) of input target (HTR3D): 5-hydroxytryptamine receptor 3D
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB00334 Olanzapine Thumb 55.0%
2 Approved SmallMoleculeDrug DB00248 Cabergoline Thumb 53.6%
3 Approved SmallMoleculeDrug DB00988 Dopamine Thumb 53.1%
4 Approved;
Investigational
SmallMoleculeDrug DB14185 Aripiprazole lauroxil Thumb 52.9%
5 Approved;
Investigational
SmallMoleculeDrug DB00714 Apomorphine Thumb 52.7%
6 Approved SmallMoleculeDrug DB00363 Clozapine Thumb 51.5%
7 Approved;
Investigational
SmallMoleculeDrug DB01238 Aripiprazole Thumb 51.4%
8 Approved;
Investigational
SmallMoleculeDrug DB06148 Mianserin Thumb 50.9%
9 Approved SmallMoleculeDrug DB00246 Ziprasidone Thumb 50.4%
10 Approved;
Investigational
SmallMoleculeDrug DB04948 Lofexidine Thumb 49.5%
11 Approved;
Investigational
SmallMoleculeDrug DB00589 Lisuride Thumb 49.0%
12 Approved SmallMoleculeDrug DB01224 Quetiapine Thumb 48.4%
13 Approved SmallMoleculeDrug DB00408 Loxapine Thumb 48.3%
14 Approved SmallMoleculeDrug DB00543 Amoxapine Thumb 47.9%
15 Approved SmallMoleculeDrug DB00247 Methysergide Thumb 47.9%
16 Approved SmallMoleculeDrug DB06216 Asenapine Thumb 47.8%
17 Approved SmallMoleculeDrug DB00370 Mirtazapine Thumb 47.7%
18 Approved;
Investigational
SmallMoleculeDrug DB00555 Lamotrigine Thumb 47.4%
19 Approved SmallMoleculeDrug DB00696 Ergotamine Thumb 47.4%
20 Investigational;
Nutraceutical
SmallMoleculeDrug DB08839 Serotonin Thumb 47.3%



  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.