Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 16/20 | 0.48 |
| ▸ | CCR2 | P41597 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835575 | 0.89 | ROCK2 (0.47) | ROCK2CCR2ROCK1SIGMAR1 | |
| SCHEMBL3953507 | 0.83 | ROCK2 (0.47) | ROCK2CCR2ROCK1SIGMAR1TMEM97 | |
| SCHEMBL3858660 | 0.79 | PDE2A (0.49) | ROCK2CCR2ROCK1 | |
| SCHEMBL3858258 | 0.76 | ROCK2 (0.51) | ROCK2CCR2ROCK1SIGMAR1 | |
| SCHEMBL5639528 | 0.73 | ROCK2 (0.46) | ROCK2CCR2ROCK1ALDH1A1 | |
| SCHEMBL5642918 | 0.73 | ROCK1 (0.44) | ROCK2CCR2ROCK1 | |
| SCHEMBL5640741 | 0.72 | ROCK1 (0.51) | ROCK2CCR2ROCK1SIGMAR1TMEM97 | |
| SCHEMBL29200978 | 0.72 | KDM4E (0.49) | ROCK1ALDH1A1 | |
| SCHEMBL14923489 | 0.70 | CHEK1 (0.47) | ROCK1ALDH1A1 | |
| SCHEMBL4415857 | 0.69 | CYP1A2 (0.46) | ROCK2CCR2ROCK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2099457-A2 | CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | Inspire Pharmaceuticals, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008077057-A2 | CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | INSPIRE PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | WO | disclosed |