Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 18/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.48 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | GRK5 | P34947 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501264 | 1.00 | ROCK2 (0.48) | ROCK2ROCK1MYLK4NAMPTCHEK1 | |
| SCHEMBL23501412 | 0.90 | ROCK2 (0.47) | ROCK2ROCK1MYLK4NAMPTCHEK1 | |
| SCHEMBL23501426 | 0.89 | ROCK2 (0.39) | ROCK2ROCK1MYLK4NAMPTCHEK1 | |
| SCHEMBL23501249 | 0.89 | ROCK2 (0.38) | ROCK2ROCK1MYLK4NAMPTCHEK1 | |
| SCHEMBL23109894 | 0.87 | ROCK2 (0.64) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23501330 | 0.87 | ROCK2 (0.64) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23521448 | 0.86 | ROCK2 (0.44) | ROCK2ROCK1MYLK4NAMPTDYRK1A | |
| SCHEMBL23927682 | 0.86 | ROCK2 (0.44) | ROCK2ROCK1MYLK4NAMPTDYRK1A | |
| SCHEMBL28577772 | 0.83 | ROCK2 (0.50) | ROCK2ROCK1MYLK4CHEK1AURKA | |
| SCHEMBL28401817 | 0.83 | ROCK2 (0.50) | ROCK2ROCK1MYLK4CHEK1AURKA |
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-2021115495-A1 | SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND | 维眸生物科技（上海）有限公司 | 2021-06-17 | — | — | WO | disclosed |