Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.57 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | PRKX | P51817 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL25528179 | 1.00 | ROCK2 (0.57) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL25528180 | 0.89 | ROCK2 (0.59) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25528181 | 0.89 | ROCK2 (0.59) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL25529500 | 0.85 | ROCK2 (0.59) | ROCK2ROCK1TNIKGSK3B | |
| SCHEMBL25529501 | 0.84 | ROCK1 (0.47) | ROCK2ROCK1 | |
| SCHEMBL25531869 | 0.83 | ROCK2 (0.42) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL29249878 | 0.80 | ROCK2 (0.62) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL30914656 | 0.80 | ROCK2 (0.62) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL25528471 | 0.79 | ROCK2 (0.44) | ROCK2ROCK1HCRTR1HCRTR2 | |
| SCHEMBL30914662 | 0.77 | ROCK2 (0.69) | ROCK2ROCK1TNIK |
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 |