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: P68133
No. Gene UniProt ID Protein Name Pathway PDB
1 ACTA1 P68133 Actin, alpha skeletal muscle NA 1T44


13 known interactions (drugs) of input target (ACTA1): Actin, alpha skeletal muscle
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04774 Reidispongiolide A Thumb
2 Experimental SmallMoleculeDrug DB04151 4-Methyl-Histidine Thumb
3 Experimental SmallMoleculeDrug DB08080 LATRUNCULIN B Thumb
4 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb
5 Experimental SmallMoleculeDrug DB04629 Aplyronine A Thumb
6 Experimental SmallMoleculeDrug DB02621 Latrunculin A Thumb
7 Experimental SmallMoleculeDrug DB04775 Reidispongiolide C Thumb
8 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02772 Sucrose Thumb
9 Experimental SmallMoleculeDrug DB03616 Kabiramide C Thumb
10 Experimental SmallMoleculeDrug DB03850 Jaspisamide A Thumb
11 Experimental SmallMoleculeDrug DB04783 Sphinxolide B Thumb
12 Experimental SmallMoleculeDrug DB03903 Tmr Thumb
13 Experimental SmallMoleculeDrug DB03021 Ulapualide A Thumb


20 predicted interactions (drugs) of input target (ACTA1): Actin, alpha skeletal muscle
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb 36.0%
2 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 31.1%
3 Investigational SmallMoleculeDrug DB06042 ZEN-012 Thumb 27.0%
4 Experimental SmallMoleculeDrug DB03401 1D-myo-inositol 1,4,5-trisphosphate Thumb 26.1%
5 Approved;
Investigational;
Withdrawn		 BiotechDrug DB00055 Drotrecogin alfa Thumb 24.8%
6 Approved SmallMoleculeDrug DB06822 Tinzaparin Thumb 24.3%
7 Approved;
Nutraceutical		 SmallMoleculeDrug DB00128 L-Aspartic Acid Thumb 24.1%
8 Investigational BiotechDrug DB06245 Lanoteplase Thumb 23.3%
9 Experimental SmallMoleculeDrug DB02007 alpha-D-glucose 6-phosphate Thumb 22.9%
10 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 22.8%
11 Approved SmallMoleculeDrug DB08896 Regorafenib Thumb 22.7%
12 Approved;
Investigational;
Withdrawn		 SmallMoleculeDrug DB00533 Rofecoxib Thumb 22.5%
13 Experimental SmallMoleculeDrug DB03227 Nicotinamide Mononucleotide Thumb 22.3%
14 Approved SmallMoleculeDrug DB01138 Sulfinpyrazone Thumb 21.5%
15 Approved SmallMoleculeDrug DB06779 Dalteparin Thumb 21.2%
16 Approved;
Withdrawn		 SmallMoleculeDrug DB00756 Hexachlorophene Thumb 20.8%
17 Experimental SmallMoleculeDrug DB04099 Deamido-Nad+ Thumb 20.8%
18 Approved;
Investigational		 SmallMoleculeDrug DB12267 Brigatinib Thumb 20.6%
19 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 20.1%
20 Approved BiotechDrug DB08885 Aflibercept Thumb 20.0%


  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.