Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 17/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.42 |
| ▸ | SELE | P16581 | 2/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30744197 | 1.00 | ROCK2 (0.48) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL23109896 | 0.89 | ROCK2 (0.51) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL24845606 | 0.89 | ROCK2 (0.51) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL23501276 | 0.88 | ROCK2 (0.49) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL30744185 | 0.88 | ROCK2 (0.49) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL24845328 | 0.85 | ROCK2 (0.59) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23109895 | 0.85 | ROCK2 (0.59) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23522283 | 0.83 | ROCK2 (0.38) | ROCK2ICAM1SELEVCAM1 | |
| SCHEMBL24845443 | 0.81 | ROCK2 (0.52) | ROCK2ICAM1SELEVCAM1AKT1 | |
| SCHEMBL23109901 | 0.81 | ROCK2 (0.52) | ROCK2ICAM1SELEVCAM1AKT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979675-B | Small molecular sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2023-12-19 | — | — | CN | disclosed |
| 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 |
| 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 |