Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528466 | 0.91 | ROCK2 (0.37) | PARP1ROCK2ROCK1BRD4GSK3B | |
| SCHEMBL25528469 | 0.86 | POLB (0.36) | ROCK2ROCK1BRD4GSK3BMAPK14 | |
| SCHEMBL25529693 | 0.85 | ROCK2 (0.51) | PARP1ROCK2ROCK1 | |
| SCHEMBL25528346 | 0.84 | ROCK2 (0.36) | ROCK2ROCK1BRD4 | |
| SCHEMBL25528196 | 0.84 | ROCK2 (0.43) | PARP1ROCK2ROCK1BRD4GLS | |
| SCHEMBL25528340 | 0.84 | PARP1 (0.44) | PARP1ROCK2ROCK1GLSMAP4K4 | |
| SCHEMBL25528762 | 0.83 | CACNA1H (0.34) | MAP4K4CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL25528771 | 0.83 | ROCK2 (0.42) | PARP1ROCK2ROCK1BRD4HDAC3 | |
| SCHEMBL25528468 | 0.81 | CACNA1H (0.36) | MAPK14 | |
| SCHEMBL25528200 | 0.79 | ROCK2 (0.40) | PARP1ROCK2ROCK1MAP4K4HDAC3 |
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 |