Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25529165 | 0.91 | NPSR1 (0.44) | NPSR1HPGDSCYP2C9CYP2C19ERN1 | |
| SCHEMBL25528328 | 0.87 | BRD4 (0.43) | ROCK2ROCK1 | |
| SCHEMBL25528200 | 0.86 | ROCK2 (0.40) | ROCK2ROCK1MAP4K4PARP1KMT2A | |
| SCHEMBL25528333 | 0.85 | ROCK2 (0.39) | ROCK2ROCK1 | |
| SCHEMBL25528196 | 0.85 | ROCK2 (0.43) | ROCK2ROCK1MAP4K4PARP1 | |
| SCHEMBL25528201 | 0.84 | ROCK2 (0.39) | ROCK2ROCK1MAP4K4PARP1KMT2A | |
| SCHEMBL25528332 | 0.81 | ROCK2 (0.38) | ROCK2ROCK1MAP4K4ADORA2AADORA1 | |
| SCHEMBL25529691 | 0.79 | ROCK2 (0.40) | ROCK2ROCK1 | |
| SCHEMBL25528181 | 0.76 | ROCK2 (0.59) | ROCK2ROCK1 | |
| SCHEMBL25528180 | 0.76 | ROCK2 (0.59) | ROCK2ROCK1 |
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 |