Table 3.
Predicted average scores and standard deviations for derivatives 1–6 against the identified targets. The best scores are in bold and the second best in italics.
| Targets | GS | CS | PLP | ASP | Glide | Total 1 | |
|---|---|---|---|---|---|---|---|
| 1 | PLC-δ1 | 56.9 ± 4.3 | 28.6 ± 1.8 | 63.1 ± 2.7 | 35.1 ± 1.3 | −3.7 ± 0.8 | 7.7 ± 0.6 |
| 2 | ATOX1 | 41.5 ± 1.8 | 19.9 ± 1.6 | 41.2 ± 3.7 | 16.1 ± 1.7 | −2.2 ± 0.3 | 4.8 ± 0.4 |
| 3 | TDP1 | 49.7 ± 0.9 | 26.8 ± 1.2 | 48.5 ± 3.7 | 31.2 ± 1.5 | −3.2 ± 0.9 | 6.6 ± 0.5 |
| 4 | Tubulin-Colchicine | 63.7 ± 1.3 | 29.2 ± 2.7 | 58.9 ± 6.3 | 27.8 ± 2.5 | −6.7 ± 0.7 | 8.1 ± 0.6 |
| 5 | A2AAR | 64.2 ± 2.8 | 38.6 ± 3.0 | 69.2 ± 1.9 | 40.4 ± 1.5 | −8.8 ± 0.4 | 10.0 ± 0.5 |
| 6 | CXCR4 | 62.6 ± 4.3 | 32.9 ± 1.3 | 66.4 ± 1.4 | 37.4 ± 3.0 | −6.3 ± 0.3 | 8.9 ± 0.5 |
| 7 | CRL-RAMP3 | 57.1 ± 1.5 | 31.7 ± 1.9 | 64.1 ± 4.3 | 36.7 ± 2.1 | −5.7 ± 0.1 | 8.4 ± 0.4 |
| 8 | GPR35 | 62.9 ± 1.9 | 32.2 ± 1.7 | 62.6 ± 3.9 | 38.4 ± 1.7 | −4.7 ± 0.6 | 8.4 ± 0.5 |
| 9 | NSPRb1 | 49.9 ± 2.1 | 27.1 ± 1.9 | 58.1 ± 4.6 | 31.1 ± 1.5 | −4.3 ± 0.5 | 7.2 ± 0.5 |
| 10 | PRLHR | 56.7 ± 2.9 | 32.8 ± 3.1 | 56.9 ± 3.8 | 32.9 ± 1.4 | −5.5 ± 0.8 | 8.0 ± 0.5 |
1 Scores normalised to A2A (=10) and corresponding standard deviations.