Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.33 |
| ▸ | SELE | P16581 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501425 | 1.00 | ROCK2 (0.36) | ROCK2ROCK1MYLK4KDM4EALDH1A1 | |
| SCHEMBL30744166 | 1.00 | ROCK2 (0.36) | ROCK2ROCK1MYLK4KDM4EALDH1A1 | |
| SCHEMBL23522244 | 0.91 | ROCK2 (0.41) | ROCK2KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL23501474 | 0.87 | ROCK2 (0.34) | ROCK2KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL23501473 | 0.87 | ROCK2 (0.34) | ROCK2KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL23501355 | 0.85 | ROCK2 (0.44) | ROCK2ROCK1MYLK4HDAC7GAA | |
| SCHEMBL30744162 | 0.85 | ROCK2 (0.44) | ROCK2ROCK1MYLK4HDAC7GAA | |
| SCHEMBL23501353 | 0.85 | ROCK2 (0.44) | ROCK2ROCK1MYLK4HDAC7GAA | |
| SCHEMBL23501202 | 0.82 | ROCK2 (0.52) | ROCK2ROCK1MYLK4ICAM1SELE | |
| SCHEMBL23501200 | 0.82 | ROCK2 (0.52) | ROCK2ROCK1MYLK4ICAM1SELE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979675-A | Small-molecule sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2021-06-18 | — | — | CN | disclosed |
| 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 |