Table 27.
Predicted activity of the top hit compounds towards the panel of protein toxicity targets.
| Compound | AA2AR | ADRB2 | ANDR | AOFA | DRD3 | ESR1 | ESR2 | GCR | HRH1 | NR1I2 | OPRK | OPRM | PDE4D | PGH1 | PRGR |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 2 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 3 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 4 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Binder |
| 27 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 31 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 58 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 59 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 60 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 61 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 62 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 63 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 64 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 65 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Binder |
| 66 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 67 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 68 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 69 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 70 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 71 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 72 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 73 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 74 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |
| 75 | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder | Non-binder |