Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25530669 | 0.91 | AOC3 (0.36) | ROCK2ROCK1CYP3A4LOXL2PRKACA | |
| SCHEMBL25530684 | 0.82 | ROCK2 (0.43) | ROCK2ROCK1GSK3B | |
| SCHEMBL25530645 | 0.81 | CYP4F2 (0.43) | LOXL2CYP4F2CYP4A11SLC7A5RAB9A | |
| SCHEMBL3124357 | 0.72 | LOXL2 (0.55) | LOXL2CYP4F2CYP4A11SLC7A5RAB9A | |
| SCHEMBL12393362 | 0.67 | LOXL2 (0.48) | LOXL2CYP4F2CYP4A11SLC7A5RAB9A | |
| SCHEMBL5542944 | 0.66 | MKNK1 (0.67) | ROCK2ROCK1CYP3A4RAB9ASMN1; SMN2 | |
| SCHEMBL25529426 | 0.66 | CIT (0.34) | ROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL25529417 | 0.66 | CIT (0.33) | ROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL25529526 | 0.64 | TRPM8 (0.44) | ROCK2ROCK1 | |
| SCHEMBL165622 | 0.64 | LOXL2 (0.66) | LOXL2CYP4F2CYP4A11SLC7A5RAB9A |
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 |