Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.73 |
| ▸ | ROCK2 | O75116 | 12/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | HSF1 | Q00613 | 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 | |
|---|---|---|---|---|
| SCHEMBL13288551 | 0.90 | ROCK1 (0.75) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL2876588 | 0.88 | ROCK1 (0.73) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL13288470 | 0.85 | ROCK1 (0.82) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL2881723 | 0.85 | ROCK1 (0.66) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL8320486 | 0.85 | ROCK1 (0.71) | ROCK1ROCK2MAPKAPK2CYP3A4KDR | |
| SCHEMBL8328328 | 0.85 | ROCK1 (0.85) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL2883920 | 0.85 | ROCK1 (0.85) | ROCK1ROCK2MAPKAPK2AGPAT2CYP3A4 | |
| SCHEMBL2880011 | 0.84 | ROCK1 (1.00) | ROCK1ROCK2MAPKAPK2AGPAT2CYP3A4 | |
| SCHEMBL13288570 | 0.84 | ROCK1 (0.64) | ROCK1ROCK2MAPKAPK2AGPAT2TNIK | |
| SCHEMBL8331875 | 0.83 | ROCK1 (0.74) | ROCK1ROCK2MAPKAPK2AGPAT2CYP3A4 |
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 |