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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: P00519
No. Gene UniProt ID Protein Name Pathway PDB
1 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416


18 known interactions (drugs) of input target (ABL1): Tyrosine-protein kinase ABL1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07831 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB04868 Nilotinib Thumb
3 Investigational SmallMoleculeDrug DB12323 Radotinib Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb
5 Experimental SmallMoleculeDrug DB08583 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide Thumb
6 Investigational SmallMoleculeDrug DB05184 XL228 Thumb
7 Approved SmallMoleculeDrug DB08896 Regorafenib Thumb
8 Experimental SmallMoleculeDrug DB03878 N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide Thumb
9 Experimental SmallMoleculeDrug DB08339 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Thumb
10 Approved;
Investigational		 SmallMoleculeDrug DB08901 Ponatinib Thumb
11 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb
12 Experimental SmallMoleculeDrug DB08043 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA Thumb
13 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb
14 Approved SmallMoleculeDrug DB06616 Bosutinib Thumb
15 Experimental SmallMoleculeDrug DB08350 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE Thumb
16 Approved;
Investigational		 SmallMoleculeDrug DB12267 Brigatinib Thumb
17 Approved;
Investigational		 SmallMoleculeDrug DB01254 Dasatinib Thumb
18 Approved SmallMoleculeDrug DB00619 Imatinib Thumb


20 predicted interactions (drugs) of input target (ABL1): Tyrosine-protein kinase ABL1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved SmallMoleculeDrug DB09079 Nintedanib Thumb 53.8%
2 Approved;
Investigational		 SmallMoleculeDrug DB09078 Lenvatinib Thumb 45.0%
3 Investigational SmallMoleculeDrug DB05146 XL820 Thumb 44.3%
4 Approved;
Investigational		 SmallMoleculeDrug DB00398 Sorafenib Thumb 42.7%
5 Approved;
Investigational		 SmallMoleculeDrug DB01268 Sunitinib Thumb 42.4%
6 Approved;
Investigational		 SmallMoleculeDrug DB06595 Midostaurin Thumb 40.9%
7 Investigational SmallMoleculeDrug DB05014 XL999 Thumb 40.0%
8 Approved BiotechDrug DB00039 Palifermin Thumb 38.5%
9 Investigational SmallMoleculeDrug DB12742 Amuvatinib Thumb 38.3%
10 Investigational SmallMoleculeDrug DB06080 ABT-869 Thumb 35.4%
11 Approved SmallMoleculeDrug DB06589 Pazopanib Thumb 34.2%
12 Approved;
Investigational		 BiotechDrug DB00102 Becaplermin Thumb 28.4%
13 Approved BiotechDrug DB10772 Foreskin keratinocyte (neonatal) Thumb 28.3%
14 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 27.5%
15 Approved SmallMoleculeDrug DB05294 Vandetanib Thumb 27.5%
16 Investigational SmallMoleculeDrug DB05913 OSI-930 Thumb 27.2%
17 Experimental SmallMoleculeDrug DB03023 1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine Thumb 25.8%
18 Experimental SmallMoleculeDrug DB03203 Sphingosine Thumb 25.6%
19 Approved BiotechDrug DB10770 Foreskin fibroblast (neonatal) Thumb 25.6%
20 Approved SmallMoleculeDrug DB08865 Crizotinib Thumb 25.1%


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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.