Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | AKT2 | P31751 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528771 | 0.86 | ROCK2 (0.42) | HDAC4ROCK2BRD4PARP1 | |
| SCHEMBL25528470 | 0.82 | AURKA (0.37) | MAP4K4ROCK2EGLN1CACNA1H | |
| SCHEMBL25528762 | 0.81 | CACNA1H (0.34) | MAP4K4CDK1CCNB1CCNA2CDK2 | |
| SCHEMBL25531283 | 0.80 | CACNA1H (0.36) | MAP4K4ROCK2CACNA1H | |
| SCHEMBL25528475 | 0.80 | CACNA1H (0.36) | MAP4K4ROCK2CACNA1H | |
| SCHEMBL25528344 | 0.80 | MAP4K4 (0.36) | MAP4K4HDAC4ROCK2CDK1CCNB1 | |
| SCHEMBL25532516 | 0.80 | ROCK2 (0.43) | HDAC4ROCK2BRD4EGLN1PARP1 | |
| SCHEMBL25528767 | 0.80 | MAP4K4 (0.38) | MAP4K4HDAC4CDK1CCNB1CCNA2 | |
| SCHEMBL25528468 | 0.79 | CACNA1H (0.36) | CACNA1HWDR5 | |
| SCHEMBL25528343 | 0.78 | PARP1 (0.43) | MAP4K4HDAC4ROCK2CDK1CCNB1 |
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 |