Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23521644 | 0.89 | ROCK2 (0.36) | ROCK2NAMPTCYP2C9TNFDYRK1A | |
| SCHEMBL28580894 | 0.89 | AAK1 (0.41) | ROCK2NAMPTCYP2C9TNFAAK1 | |
| SCHEMBL30744178 | 0.89 | AAK1 (0.41) | ROCK2NAMPTCYP2C9TNFAAK1 | |
| SCHEMBL23927573 | 0.89 | ROCK2 (0.36) | ROCK2 | |
| SCHEMBL23521642 | 0.88 | ROCK2 (0.42) | ROCK2NAMPTCYP2C9TNFAAK1 | |
| SCHEMBL28409474 | 0.87 | NAMPT (0.37) | ROCK2NAMPTCYP2C9TNFDYRK1A | |
| SCHEMBL28588721 | 0.87 | ROCK2 (0.38) | ROCK2NAMPTCYP2C9TNFDYRK1A | |
| SCHEMBL30744176 | 0.87 | ROCK2 (0.38) | ROCK2NAMPTCYP2C9TNFDYRK1A | |
| SCHEMBL23521448 | 0.86 | ROCK2 (0.44) | ROCK2NAMPTCYP2C9TNFDYRK1A | |
| SCHEMBL23501364 | 0.86 | ROCK2 (0.37) | ROCK2NAMPTCYP2C9TNFDYRK1A |
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 3 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 |
| EP-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | 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 |