Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
| ▸ | CD74 | P04233 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25530634 | 0.91 | ROCK2 (0.40) | ROCK2ROCK1IDO1 | |
| SCHEMBL25530636 | 0.84 | ROCK2 (0.43) | ROCK2ROCK1 | |
| SCHEMBL25530648 | 0.82 | MAPT (0.47) | ROCK2ROCK1CD74MIFTRPA1 | |
| SCHEMBL25530880 | 0.81 | ROCK1 (0.48) | ROCK2ROCK1TNIKCD74MIF | |
| SCHEMBL25528651 | 0.80 | ROCK2 (0.38) | ROCK2ROCK1 | |
| SCHEMBL25529500 | 0.80 | ROCK2 (0.59) | ROCK2ROCK1TNIKCD74MIF | |
| SCHEMBL25528328 | 0.79 | BRD4 (0.43) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL25530811 | 0.79 | BRD4 (0.49) | ROCK2ROCK1MAPK10 | |
| SCHEMBL25528332 | 0.79 | ROCK2 (0.38) | ROCK2ROCK1CYP3A4ADORA2AADORA1 | |
| SCHEMBL25528181 | 0.77 | ROCK2 (0.59) | ROCK2ROCK1TNIKCYP3A4PRKACA |
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 |