Table 3:
Drug repurposing opportunities
| Protein | Protein full name | Protein-encoding gene | OpenTargets information (overall score) | Drugbank ID | Drug name | Molecular action | Molecular docking score* |
|---|---|---|---|---|---|---|---|
| sTie-1 | Tyrosine-protein kinase receptor Tie-1, soluble | TIE1 | 0.006 | DB12010 | Fostamatinib | Inhibitor | −6.1 |
| Carboxypeptidase B1 | Carboxypeptidase B | CPB1 | 0.159 | DB04272 | Citric acid | NA | −3.9 |
| Chymotrypsin | Chymotrypsinogen B | CTRB1 | 0.078 | DB06692 | Aprotinin | NA | MDNA |
| sE-Selectin | E-selectin | SELE | 0.023 | DB01136 | Carvedilol | Inhibitor | −6.9 |
| P-Selectin | P-Selectin | SELP | 0.008 | DB01109 | Heparin | Inhibitor | −4.9 |
| DB08813 | Nadroparin | Inhibitor | −4.9 | ||||
| DB06779 | Dalteparin | Inhibitor | −4.9 | ||||
| DB15271 | Crizanlizumab | Inhibitor | 3DSNA | ||||
| VEGF sR2 | Vascular endothelial growth factor receptor 2 | KDR | 0.367 | DB06589 | Pazopanib | Inhibitor | −6.3 |
| DB08896 | Regorafenib | Inhibitor | −6.5 | ||||
| DB09079 | Nintedanib | Inhibitor | −5.8 | ||||
| DB14840 | Ripretinib | Inhibitor | −6.6 | ||||
| DB00398 | Sorafenib | Antagonist | −6.6 | ||||
| DB01268 | Sunitinib | Inhibitor | −5.6 | ||||
| DB06595 | Midostaurin | Antagonist inhibitor | −5.1 | ||||
| DB06626 | Axitinib | Inhibitor | −6.0 | ||||
| DB08875 | Cabozantinib | Antagonist | −7.0 | ||||
| DB08901 | Ponatinib | Inhibitor | −6.9 | ||||
| DB09078 | Lenvatinib | Inhibitor | −6.1 | ||||
| DB05578 | Ramucirumab | Antagonist | 3DSNA | ||||
| DB12010 | Fostamatinib | Inhibitor | −5.3 | ||||
| DB12147 | Erdafitinib | Substrate | −5.5 | ||||
| DB15822 | Pralsetinib | Inhibitor | −6.9 | ||||
| DB11800 | Tivozanib | Inhibitor | −6.4 | ||||
| ADH1B | Alcohol dehydrogenase 1B | ADH1B | 0.001 | DB00898 | Ethanol | Substrate | −2.8 |
| DB09462 | Glycerin | NA | −3.7 | ||||
| DB00157 | NADH | Substrate | −9.6 | ||||
| DB01213 | Fomepizole | Inhibitor | −3.9 | ||||
| Met | Hepatocyte growth factor receptor | MET | 0.304 | DB08865 | Crizotinib | Inhibitor | −8.1 |
| DB08875 | Cabozantinib | Antagonist | −8 | ||||
| DB12267 | Brigatinib | Inhibitor | −8.2 | ||||
| DB12010 | Fostamatinib | Inhibitor | −6.7 | ||||
| DB11791 | Capmatinib | Inhibitor | −8.7 | ||||
| DB15133 | Tepotinib | Inhibitor | −8.3 | ||||
| DB11800 | Tivozanib | Inhibitor | −8.2 | ||||
| DB16695 | Amivantamab | Antagonist antibody | 3DSNA | ||||
| IGF-I sR | Insulin-like growth factor 1 receptor | IGF1R | 0.099 | DB00071 | Insulin pork | NA | MDNA |
| DB00046 | Insulin lispro | Activator | MDNA | ||||
| DB01307 | Insulin detemir | Activator | MDNA | ||||
| DB00047 | Insulin glargine | Activator | MDNA | ||||
| DB01306 | Insulin aspart | Activator | MDNA | ||||
| DB01309 | Insulin glulisine | Activator | MDNA | ||||
| DB09564 | Insulin degludec | Activator | MDNA | ||||
| DB14751 | Mecasermin rinfabate | Agonist | MDNA | ||||
| DB09456 | Insulin beef | Activator | MDNA | ||||
| DB08804 | Nandrolone decanoate | Inducer | −5.8 | ||||
| DB01277 | Mecasermin | Agonist | 3DSNA | ||||
| DB00030 | Insulin human | Activator | MDNA | ||||
| DB06343 | Teprotumumab | Binder, antibody | 3DSNA | ||||
| DB12267 | Brigatinib | Inhibitor | −5.7 | ||||
| IR | Insulin receptor | INSR | 0.013 | DB00047 | Insulin glargine | Agonist | MDNA |
| DB00071 | Insulin pork | Binder | MDNA | ||||
| DB01307 | Insulin detemir | Agonist | MDNA | ||||
| DB00046 | Insulin lispro | Agonist | MDNA | ||||
| DB01306 | Insulin aspart | Agonist | MDNA | ||||
| DB01309 | Insulin glulisine | Agonist | MDNA | ||||
| DB09564 | Insulin degludec | Agonist | MDNA | ||||
| DB09129 | Chromic chloride | Activator | MDNA | ||||
| DB14751 | Mecasermin rinfabate | NA | MDNA | ||||
| DB09456 | Insulin beef | Agonist | MDNA | ||||
| DB00030 | Insulin human | Agonist | MDNA | ||||
| DB01277 | Mecasermin | NA | 3DSNA | ||||
| DB12267 | Brigatinib | Binding | −8.4 | ||||
| DB12010 | Fostamatinib | Inhibitor | −7.5 |
*
A score of ≤−7 represents a good interaction between the protein and corresponding drug agent and is bolded.
MDNA: molecular docking not applicable; 3DSNA: 3D structure not available.