Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | CYP46A1 | Q9Y6A2 | 7/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TAF1 | P21675 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528750 | 0.91 | ROCK2 (0.33) | ROCK2ROCK1CYP46A1BRD4GRIN2B | |
| SCHEMBL25528189 | 0.86 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25532225 | 0.86 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528471 | 0.84 | ROCK2 (0.44) | ROCK2ROCK1CYP46A1BRD4TAF1 | |
| SCHEMBL25528478 | 0.82 | ROCK2 (0.41) | ROCK2ROCK1CYP46A1BRD4 | |
| SCHEMBL25529500 | 0.80 | ROCK2 (0.59) | ROCK2ROCK1BRD4IDO1 | |
| SCHEMBL25529070 | 0.79 | CACNA1H (0.33) | ROCK2ROCK1BRD4 | |
| SCHEMBL25532515 | 0.79 | ROCK2 (0.33) | ROCK2ROCK1BRD4 | |
| SCHEMBL25528479 | 0.79 | CACNA1H (0.33) | ROCK2ROCK1BRD4 | |
| SCHEMBL25529501 | 0.79 | ROCK1 (0.47) | ROCK2ROCK1BRD4IDO1TDO2 |
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 |