Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 18/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.66 |
| ▸ | CIT | O14578 | 1/20 | 0.63 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.63 |
| ▸ | JAK2 | O60674 | 1/20 | 0.63 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.63 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.63 |
| ▸ | PRKCG | P05129 | 1/20 | 0.63 |
| ▸ | PRKCB | P05771 | 1/20 | 0.63 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.63 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.63 |
| ▸ | CDK2 | P24941 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | FLT3 | P36888 | 1/20 | 0.63 |
| ▸ | GSK3B | P49841 | 1/20 | 0.63 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.63 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.63 |
| ▸ | JAK3 | P52333 | 1/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.63 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4474268 | 0.89 | ROCK1 (1.00) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887952 | 0.86 | ROCK1 (0.77) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887717 | 0.85 | ROCK1 (0.75) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887959 | 0.85 | ROCK1 (0.76) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887963 | 0.85 | ROCK1 (0.76) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13888006 | 0.85 | ROCK1 (0.85) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887978 | 0.84 | ROCK1 (0.74) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887720 | 0.84 | ROCK1 (0.83) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887976 | 0.83 | ROCK1 (0.73) | ROCK1CYP3A4CITMAP3K7JAK2 | |
| SCHEMBL13887723 | 0.83 | ROCK1 (0.81) | ROCK1CYP3A4CITMAP3K7JAK2 |
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 |