Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | EEF2K | O00418 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | NEK4 | P51957 | 1/20 | 0.41 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.41 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.41 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632174 | 0.88 | ROCK2 (0.42) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL16751182 | 0.83 | ROCK2 (0.37) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL16751183 | 0.83 | GPR119 (0.41) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL28627766 | 0.83 | CREBBP (0.37) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL18345074 | 0.81 | EGFR (0.43) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL30516913 | 0.80 | MAPT (0.45) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL3610098 | 0.80 | MAPT (0.45) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL3368910 | 0.80 | ROCK2 (0.47) | ROCK2ROCK1TAOK1CLK4EEF2K | |
| SCHEMBL15502414 | 0.76 | POLB (0.41) | CREBBPMETELANEALDH1A1LMNA | |
| SCHEMBL29510797 | 0.75 | CREBBP (0.44) | CREBBPMETELANEALDH1A1LMNA |
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-109761986-B | Tricyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-10-08 | — | — | CN | disclosed |