Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.62 |
| ▸ | TNIK | Q9UKE5 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | PRKX | P51817 | 1/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249878 | 1.00 | ROCK2 (0.62) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL25529357 | 0.89 | ROCK2 (0.65) | ROCK2ROCK1TNIKCYP3A4PRKACA | |
| SCHEMBL29249888 | 0.85 | ROCK2 (0.69) | ROCK2ROCK1TNIK | |
| SCHEMBL30914662 | 0.85 | ROCK2 (0.69) | ROCK2ROCK1TNIK | |
| SCHEMBL30914661 | 0.83 | LMNA (0.45) | ROCK2ROCK1TNIK | |
| SCHEMBL29249891 | 0.83 | LMNA (0.45) | ROCK2ROCK1TNIK | |
| SCHEMBL25528179 | 0.80 | ROCK2 (0.57) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL25528176 | 0.80 | ROCK2 (0.57) | ROCK2ROCK1TNIKCYP3A4CYP2D6 | |
| SCHEMBL24187851 | 0.70 | TNIK (0.53) | ROCK2ROCK1TNIK | |
| SCHEMBL31427147 | 0.70 | ROCK2 (0.47) | ROCK2ROCK1TNIKCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118271305-A | Benzazepine ketone derivative and application thereof | 四川大学 | 2024-07-02 | — | — | CN | disclosed |