Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.34 |
| ▸ | FEN1 | P39748 | 3/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CIT | O14578 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528328 | 0.88 | BRD4 (0.43) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL25528623 | 0.86 | ROCK2 (0.35) | ROCK2ROCK1CYP3A4CYP2D6AGTR2 | |
| SCHEMBL25528333 | 0.86 | ROCK2 (0.39) | ROCK2ROCK1 | |
| SCHEMBL25528200 | 0.85 | ROCK2 (0.40) | ROCK2ROCK1MAP4K4 | |
| SCHEMBL25528201 | 0.84 | ROCK2 (0.39) | ROCK2ROCK1MAP4K4 | |
| SCHEMBL25528196 | 0.83 | ROCK2 (0.43) | ROCK2ROCK1MAP4K4 | |
| SCHEMBL25529691 | 0.82 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528334 | 0.81 | NPSR1 (0.45) | ROCK2ROCK1MAP4K4ADORA2AADORA1 | |
| SCHEMBL25528181 | 0.79 | ROCK2 (0.59) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL25528180 | 0.79 | ROCK2 (0.59) | ROCK2ROCK1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023093787-A1 | BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR | 成都奥睿药业有限公司 | 2023-06-01 | — | — | WO | disclosed |