Table 3.
Target list used for model validation
| Target | UniProt ID | CHEMBL ID |
|---|---|---|
| Alpha-2a adrenergic receptor | P08913 | CHEMBL1867 |
| Tyrosine-protein kinase ABL | P00519 | CHEMBL1862 |
| Acetylcholinesterase | P22303 | CHEMBL220 |
| Androgen receptor | P10275 | CHEMBL1871 |
| Serine/threonine-protein kinase Aurora-A | O14965 | CHEMBL4722 |
| Serine/threonine-protein kinase B-raf | P15056 | CHEMBL5145 |
| Cannabinoid CB1 receptor | P21554 | CHEMBL218 |
| Carbonic anhydrase II | P00918 | CHEMBL205 |
| Caspase-3 | P42574 | CHEMBL2334 |
| Thrombin | P00734 | CHEMBL204 |
| Cyclooxygenase-1 | P23219 | CHEMBL221 |
| Cyclooxygenase-2 | P35354 | CHEMBL230 |
| Dihydrofolate reductase | P00374 | CHEMBL202 |
| Dopamin D2 receptor | P14416 | CHEMBL217 |
| Norepinephrine transporter | P23975 | CHEMBL222 |
| Epidermal growth factor receptor erbB1 | P00533 | CHEMBL203 |
| Estrogen receptor alpha | P03372 | CHEMBL206 |
| Glucocorticoid receptor | P04150 | CHEMBL2034 |
| Glycogen synthase kinase-3 beta | P49841 | CHEMBL262 |
| HERG | Q12809 | CHEMBL240 |
| Tyrosine-protein kinase JAK2 | O60674 | CHEMBL2971 |
| Tyrosine-protein kinase LCK | P06239 | CHEMBL258 |
| Monoamine oxidase A | P21397 | CHEMBL1951 |
| Mu opioid receptor | P35372 | CHEMBL233 |
| Vanilloid receptor | Q8NER1 | CHEMBL4794 |