Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 4/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28959626 | 0.74 | PLAU (0.38) | DRD2DRD3HTR6PNMTPLAU | |
| SCHEMBL8179926 | 0.74 | DRD2 (0.42) | DRD2DRD3HTR6 | |
| SCHEMBL31514914 | 0.74 | HTR2A (0.40) | DRD2DRD3HTR6PNMTADRA2A | |
| SCHEMBL1206291 | 0.74 | HTR2A (0.40) | DRD2DRD3HTR6PNMTADRA2A | |
| SCHEMBL24800753 | 0.73 | DRD2 (0.37) | DRD2DRD3HTR6PNMTADRA2A | |
| Hydrochloric Acid SCHEMBL3710885 | 0.72 | HTR2A (0.39) | DRD2DRD3HTR6PNMTADRA2A | |
| SCHEMBL9326541 | 0.72 | KDM4E (0.49) | ITGB3ITGA2B | |
| SCHEMBL21335649 | 0.71 | DRD2 (0.47) | DRD2DRD3HTR6PLAU | |
| SCHEMBL28239129 | 0.71 | KDM4E (0.45) | DRD2DRD3HTR6ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL27919835 | 0.70 | KDM4E (0.47) | ITGB3ITGA2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |