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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: Q9UM73
No. Gene UniProt ID Protein Name Pathway PDB
1 ALK Q9UM73 ALK tyrosine kinase receptor hsa05200; hsa05223

6 known interactions (drugs) of input target (ALK): ALK tyrosine kinase receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved SmallMoleculeDrug DB09063 Ceritinib Thumb
2 Approved SmallMoleculeDrug DB08865 Crizotinib Thumb
3 Approved;
SmallMoleculeDrug DB12010 Fostamatinib Thumb
4 Approved;
SmallMoleculeDrug DB11363 Alectinib Thumb
5 Approved;
SmallMoleculeDrug DB12267 Brigatinib Thumb
6 Investigational;
SmallMoleculeDrug DB00171 ATP Thumb

20 predicted interactions (drugs) of input target (ALK): ALK tyrosine kinase receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved SmallMoleculeDrug DB08896 Regorafenib Thumb 34.5%
2 Approved;
SmallMoleculeDrug DB08901 Ponatinib Thumb 26.5%
3 Approved SmallMoleculeDrug DB08916 Afatinib Thumb 25.8%
4 Approved;
SmallMoleculeDrug DB01254 Dasatinib Thumb 23.8%
5 Approved;
SmallMoleculeDrug DB08875 Cabozantinib Thumb 23.8%
6 Experimental SmallMoleculeDrug DB02482 Phosphonothreonine Thumb 23.0%
7 Approved;
SmallMoleculeDrug DB00398 Sorafenib Thumb 22.6%
8 Approved;
SmallMoleculeDrug DB00313 Valproic Acid Thumb 22.5%
9 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb 22.2%
10 Approved;
SmallMoleculeDrug DB00119 Pyruvic acid Thumb 21.1%
11 Experimental SmallMoleculeDrug DB04367 Debromohymenialdisine Thumb 20.2%
12 Experimental;
SmallMoleculeDrug DB03496 Alvocidib Thumb 19.5%
13 Approved SmallMoleculeDrug DB13269 Dichlorobenzyl alcohol Thumb 19.1%
14 Investigational SmallMoleculeDrug DB05232 Tetrodotoxin Thumb 18.7%
15 Approved SmallMoleculeDrug DB00917 Dinoprostone Thumb 18.7%
16 Approved;
SmallMoleculeDrug DB01942 Formic Acid Thumb 18.5%
17 Experimental SmallMoleculeDrug DB08043 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA Thumb 18.0%
18 Investigational SmallMoleculeDrug DB05184 XL228 Thumb 17.9%
19 Experimental SmallMoleculeDrug DB08350 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE Thumb 17.8%
20 Investigational SmallMoleculeDrug DB12323 Radotinib Thumb 17.2%


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.


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.