Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.59 |
| ▸ | TNIK | Q9UKE5 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PRKACA | P17612 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528180 | 1.00 | ROCK2 (0.59) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25528176 | 0.89 | ROCK2 (0.57) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25528179 | 0.89 | ROCK2 (0.57) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25528328 | 0.82 | BRD4 (0.43) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL25529357 | 0.81 | ROCK2 (0.65) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25528184 | 0.81 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528333 | 0.80 | ROCK2 (0.39) | ROCK2ROCK1PRKACA | |
| SCHEMBL25528187 | 0.80 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528190 | 0.80 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528332 | 0.79 | ROCK2 (0.38) | 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 |