Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 16/20 | 0.43 |
| ▸ | DRD2 | P14416 | 13/20 | 0.43 |
| ▸ | HTR2A | P28223 | 12/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | 0.80 | ROCK2 (0.47) | ROCK2CCR2ROCK1 | |
| SCHEMBL3953507 | 0.80 | ROCK2 (0.47) | PDE2AROCK2CCR2ROCK1 | |
| SCHEMBL3857673 | 0.79 | ROCK2 (0.48) | ROCK2CCR2ROCK1 | |
| SCHEMBL3858258 | 0.77 | ROCK2 (0.51) | ROCK2CCR2ROCK1 | |
| SCHEMBL5640741 | 0.72 | ROCK1 (0.51) | ROCK2CCR2ROCK1 | |
| SCHEMBL5639528 | 0.71 | ROCK2 (0.46) | PDE2AROCK2CCR2ROCK1LTA4H | |
| SCHEMBL4415857 | 0.71 | CYP1A2 (0.46) | ROCK2CCR2ROCK1 | |
| SCHEMBL5642918 | 0.70 | ROCK1 (0.44) | PDE2AROCK2CCR2ROCK1LTA4H | |
| SCHEMBL5640699 | 0.70 | ROCK2 (0.47) | PDE2ADRD4DRD2ROCK2CCR2 | |
| SCHEMBL29200978 | 0.69 | KDM4E (0.49) | ROCK1 |
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 |