Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528767 | 0.90 | MAP4K4 (0.38) | PARP1NAMPTHDAC4MAP4K4BRD4 | |
| SCHEMBL25528339 | 0.89 | PARP1 (0.41) | PARP1GLSNAMPTHDAC3HDAC4 | |
| SCHEMBL25528752 | 0.88 | PARP1 (0.42) | PARP1GLSNAMPTHDAC3HDAC4 | |
| SCHEMBL25528351 | 0.86 | BRD4 (0.34) | NAMPTBRD4THRBCACNA1G | |
| SCHEMBL25528196 | 0.80 | ROCK2 (0.43) | PARP1GLSHDAC3HDAC4HDAC1 | |
| SCHEMBL25528350 | 0.79 | BRD4 (0.33) | BRD4THRBCACNA1G | |
| SCHEMBL25528344 | 0.79 | MAP4K4 (0.36) | PARP1NAMPTHDAC4ROCK2MAP4K4 | |
| SCHEMBL25529693 | 0.78 | ROCK2 (0.51) | PARP1ROCK2 | |
| SCHEMBL25528343 | 0.78 | PARP1 (0.43) | PARP1GLSHDAC3HDAC4HDAC1 | |
| SCHEMBL25528337 | 0.76 | BRD4 (0.39) | ROCK2BRD4THRBCACNA1G |
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 |