Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.45 |
| ▸ | ATP4A | P20648 | 1/20 | 0.44 |
| ▸ | ATP4B | P51164 | 1/20 | 0.44 |
| ▸ | CIT | O14578 | 1/20 | 0.43 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.43 |
| ▸ | PRKCG | P05129 | 1/20 | 0.43 |
| ▸ | PRKCB | P05771 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13888055 | 0.86 | ROCK1 (0.65) | ROCK1CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL13887847 | 0.84 | ROCK1 (0.74) | ROCK1CYP3A4MAPK1CITMAP3K7 | |
| SCHEMBL13888050 | 0.82 | ROCK1 (0.59) | ROCK1CYP3A4MEN1KMT2ACGAS | |
| SCHEMBL13888056 | 0.79 | ROCK1 (0.61) | ROCK1CYP3A4MEN1KMT2AMAPK1 | |
| SCHEMBL13888059 | 0.78 | ROCK1 (0.70) | ROCK1CYP3A4MAPK1CITMAP3K7 | |
| SCHEMBL13887844 | 0.76 | ROCK1 (0.77) | ROCK1CYP3A4 | |
| SCHEMBL13895209 | 0.76 | MAPK1 (0.43) | ROCK1MEN1KMT2AMAPK1 | |
| SCHEMBL13887926 | 0.76 | ROCK1 (0.74) | ROCK1CYP3A4MAPK1CITMAP3K7 | |
| SCHEMBL13888042 | 0.74 | ROCK1 (0.55) | ROCK1CYP3A4MEN1KMT2ACGAS | |
| SCHEMBL13887912 | 0.73 | ROCK1 (0.74) | ROCK1CYP3A4MAPK1CITMAP3K7 |
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 |
|---|---|---|---|---|---|---|---|
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |