Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL25530669 | 0.83 | AOC3 (0.36) | ROCK2ROCK1 | |
| SCHEMBL25530657 | 0.82 | ROCK2 (0.38) | ROCK2ROCK1GSK3B | |
| SCHEMBL25531248 | 0.73 | ROCK2 (0.40) | ROCK2MAPK14PIK3C3KCNH2IRAK4 | |
| SCHEMBL25528649 | 0.70 | ROCK2 (0.44) | ROCK2MAP4K4PARP1GLSMAPK14 | |
| SCHEMBL25528196 | 0.70 | ROCK2 (0.43) | ROCK2MAP4K4PARP1GLSMAPK14 | |
| SCHEMBL25530636 | 0.69 | ROCK2 (0.43) | ROCK2MAP4K4PARP1GLSMAPK14 | |
| SCHEMBL25528744 | 0.69 | ROCK2 (0.46) | ROCK2MAP4K4PARP1GLSMAPK14 | |
| SCHEMBL25529530 | 0.69 | ROCK2 (0.41) | ROCK2ROCK1 | |
| SCHEMBL25718992 | 0.68 | ROCK2 (0.71) | ROCK2MAP4K4ROCK1GSK3B | |
| SCHEMBL20113313 | 0.66 | ROCK2 (0.58) | ROCK2PARP1ROCK1 |
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 |