Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25211576 | 1.00 | ROCK2 (0.47) | ROCK2ROCK1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL31427147 | 1.00 | ROCK2 (0.47) | ROCK2ROCK1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL31427146 | 1.00 | ROCK2 (0.47) | ROCK2ROCK1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL31427144 | 0.89 | ROCK2 (0.51) | ROCK2ROCK1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL25237854 | 0.86 | CYP17A1 (0.39) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL31427149 | 0.86 | CYP17A1 (0.39) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL25215671 | 0.83 | HRH3 (0.43) | KDM4EALDH1A1SIGMAR1HRH3 | |
| SCHEMBL31427148 | 0.83 | HRH3 (0.43) | KDM4EALDH1A1SIGMAR1HRH3 | |
| SCHEMBL25197107 | 0.83 | HRH3 (0.43) | KDM4EALDH1A1SIGMAR1HRH3 | |
| SCHEMBL31427140 | 0.83 | HRH3 (0.43) | KDM4EALDH1A1SIGMAR1HRH3 |
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 |