Table 2.
Protein target data sets used in this study
| Target preferred name | Target abbreviation | Uniprot ID | ChEMBL ID | Number of bioactivity data points |
|---|---|---|---|---|
| Alpha-2a adrenergic receptor | A2a | P08913 | CHEMBL1867 | 203 |
| Tyrosine-protein kinase ABL | ABL1 | P00519 | CHEMBL1862 | 773 |
| Acetylcholinesterase | Acetylcholinesterase | P22303 | CHEMBL220 | 3159 |
| Androgen Receptor | Androgen | P10275 | CHEMBL1871 | 1290 |
| Serine/threonine-protein kinase Aurora-A | Aurora-A | O14965 | CHEMBL4722 | 2125 |
| Serine/threonine-protein kinase B-raf | B-raf | P15056 | CHEMBL5145 | 1730 |
| Cannabinoid CB1 receptor | Cannabinoid | P21554 | CHEMBL218 | 1116 |
| Carbonic anhydrase II | Carbonic | P00918 | CHEMBL205 | 603 |
| Caspase-3 | Caspase | P42574 | CHEMBL2334 | 1606 |
| Thrombin | Coagulation | P00734 | CHEMBL204 | 1700 |
| Cyclooxygenase-1 | COX-1 | P23219 | CHEMBL221 | 1343 |
| Cyclooxygenase-2 | COX-2 | P35354 | CHEMBL230 | 2855 |
| Dihydrofolate reductase | Dihydrofolate | P00374 | CHEMBL202 | 584 |
| Dopamine D2 receptor | Dopamine | P14416 | CHEMBL217 | 479 |
| Norepinephrine transporter | Ephrin | P23975 | CHEMBL222 | 1740 |
| Epidermal growth factor receptor erbB1 | erbB1 | P00533 | CHEMBL203 | 4868 |
| Estrogen receptor alpha | Estrogen | P03372 | CHEMBL206 | 1705 |
| Glucocorticoid receptor | Glucocorticoid | P04150 | CHEMBL2034 | 1447 |
| Glycogen synthase kinase-3 beta | Glycogen | P49841 | CHEMBL262 | 1757 |
| HERG | HERG | Q12809 | CHEMBL240 | 5207 |
| Tyrosine-protein kinase JAK2 | JAK2 | O60674 | CHEMBL2971 | 2655 |
| Tyrosine-protein kinase LCK | LCK | P06239 | CHEMBL258 | 1352 |
| Monoamine oxidase A | Monoamine | P21397 | CHEMBL1951 | 1379 |
| Mu opioid receptor | Opioid | P35372 | CHEMBL233 | 840 |
| Vanilloid receptor | Vanilloid | Q8NER1 | CHEMBL4794 | 1923 |