Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 20/20 | 1.00 |
| ▸ | PRKACA | P17612 | 3/20 | 0.70 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.64 |
| ▸ | CIT | O14578 | 2/20 | 0.59 |
| ▸ | FLT3 | P36888 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | JAK3 | P52333 | 2/20 | 0.59 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.59 |
| ▸ | JAK2 | O60674 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3248699 | 0.92 | ROCK1 (0.85) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL3247146 | 0.90 | ROCK1 (0.81) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL3254520 | 0.89 | ROCK1 (1.00) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL3254509 | 0.83 | ROCK1 (0.75) | ROCK1PRKACAROCK2CYP3A4 | |
| SCHEMBL3249586 | 0.82 | ROCK1 (1.00) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL13887932 | 0.81 | ROCK1 (0.85) | ROCK1ROCK2CYP3A4CITFLT3 | |
| SCHEMBL6204175 | 0.80 | ROCK1 (0.76) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL438725 | 0.79 | ROCK1 (0.84) | ROCK1PRKACAROCK2CYP3A4CIT | |
| SCHEMBL3252649 | 0.79 | ROCK1 (1.00) | ROCK1PRKACAROCK2CYP3A4 | |
| SCHEMBL438730 | 0.79 | ROCK1 (0.82) | ROCK1PRKACAROCK2CYP3A4CIT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| CN-1732164-A | Compositions useful as inhibitors of ROCK and other protein kinases | VERTEX PHARMA (US) | 2006-02-08 | — | — | CN | disclosed |
| EP-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | disclosed |