Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 4/20 | 0.42 |
| ▸ | PRKACA | P17612 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | PRKX | P51817 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | PRKCG | P05129 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | CLK2 | P49760 | 2/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6488766 | 1.00 | ROCK1 (0.43) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6499384 | 1.00 | ROCK1 (0.43) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6488769 | 1.00 | ROCK1 (0.43) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6203466 | 0.94 | ROCK1 (0.42) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6203464 | 0.94 | ROCK1 (0.42) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6203496 | 0.94 | ROCK1 (0.42) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6203468 | 0.94 | ROCK1 (0.42) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6203724 | 0.91 | ROCK2 (0.44) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6496213 | 0.91 | ROCK2 (0.44) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 | |
| SCHEMBL6496204 | 0.91 | ROCK2 (0.44) | ROCK1ROCK2CYP3A4CYP2C9PRKG1 |
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-1581498-A2 | PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS | Bristol-Myers Squibb Company (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004047739-A2 | PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-10 | — | — | WO | disclosed |