Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.61 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 12/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13288483 | 0.90 | ROCK1 (0.61) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL13288434 | 0.86 | ROCK1 (0.81) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL8325985 | 0.85 | ROCK1 (0.66) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL8329571 | 0.85 | ROCK1 (0.71) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL13288482 | 0.85 | ROCK1 (0.63) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL8326979 | 0.85 | ROCK1 (0.63) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL13288436 | 0.83 | ROCK1 (0.59) | ROCK1AGPAT2ROCK2MAPKAPK2 | |
| SCHEMBL2883920 | 0.80 | ROCK1 (0.85) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL13295207 | 0.78 | ROCK1 (0.75) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 | |
| SCHEMBL13288472 | 0.78 | ROCK1 (0.72) | ROCK1AGPAT2ROCK2PIK3CAMAPKAPK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004039796-A1 | HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2004-05-13 | — | — | WO | disclosed |