Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25528752 | 0.90 | PARP1 (0.42) | MAP4K4PARP1BRD4CACNA1GCACNA1I | |
| SCHEMBL25528767 | 0.88 | MAP4K4 (0.38) | MAP4K4PARP1CACNA1HCDK1CCNB1 | |
| SCHEMBL25529759 | 0.80 | MAP4K4 (0.40) | MAP4K4PARP1CACNA1HCDK1CCNB1 | |
| SCHEMBL25528758 | 0.79 | PARP1 (0.42) | MAP4K4PARP1BRD4CACNA1GNAMPT | |
| SCHEMBL25528339 | 0.77 | PARP1 (0.41) | MAP4K4PARP1BRD4CACNA1GNAMPT | |
| SCHEMBL25528470 | 0.75 | AURKA (0.37) | MAP4K4CACNA1HEGLN1USP30ROCK2 | |
| SCHEMBL25528475 | 0.72 | CACNA1H (0.36) | MAP4K4CACNA1HUSP30ROCK2 | |
| SCHEMBL25531283 | 0.72 | CACNA1H (0.36) | MAP4K4CACNA1HUSP30ROCK2 | |
| SCHEMBL25532516 | 0.72 | ROCK2 (0.43) | PARP1BRD4CACNA1INAMPTHDAC4 | |
| SCHEMBL25528762 | 0.72 | CACNA1H (0.34) | MAP4K4CACNA1HCDK1CCNB1CCNA2 |
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 |