Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 15/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TAF1 | P21675 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25530881 | 0.92 | ROCK2 (0.48) | IRAK4KCNH2ROCK2ROCK1BRD4 | |
| SCHEMBL25531233 | 0.89 | IRAK4 (0.42) | IRAK4KCNH2ROCK2ROCK1MAPK14 | |
| SCHEMBL25528746 | 0.87 | IRAK4 (0.39) | IRAK4KCNH2ROCK2ROCK1BRD4 | |
| SCHEMBL25528749 | 0.86 | IRAK4 (0.41) | IRAK4KCNH2ROCK2ROCK1MAPK14 | |
| SCHEMBL25530887 | 0.85 | KMT2A (0.39) | ROCK2ROCK1 | |
| SCHEMBL25530900 | 0.85 | IRAK4 (0.43) | IRAK4KCNH2ROCK2ROCK1CCNT1 | |
| SCHEMBL25529501 | 0.84 | ROCK1 (0.47) | ROCK2ROCK1BRD4 | |
| SCHEMBL25528200 | 0.83 | ROCK2 (0.40) | IRAK4KCNH2ROCK2ROCK1MAPK14 | |
| SCHEMBL25528196 | 0.82 | ROCK2 (0.43) | IRAK4KCNH2ROCK2ROCK1BRD4 | |
| SCHEMBL25528201 | 0.81 | ROCK2 (0.39) | IRAK4KCNH2ROCK2ROCK1MAPK14 |
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 |