Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30744209 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAPTROCK2ROCK1AKT1 | |
| SCHEMBL30744194 | 0.92 | ROCK2 (0.43) | ALDH1A1ROCK2ROCK1GSK3BGAA | |
| SCHEMBL30744184 | 0.92 | ROCK2 (0.44) | ALDH1A1MAPTROCK2ROCK1MEN1 | |
| SCHEMBL28915354 | 0.92 | ROCK2 (0.44) | ALDH1A1MAPTROCK2ROCK1MEN1 | |
| SCHEMBL23501411 | 0.92 | ROCK2 (0.43) | ALDH1A1ROCK2ROCK1GSK3BGAA | |
| SCHEMBL23501278 | 0.92 | ROCK2 (0.44) | ALDH1A1MAPTROCK2ROCK1MEN1 | |
| SCHEMBL23927702 | 0.91 | ROCK2 (0.37) | ALDH1A1ROCK2ROCK1GSK3BGAA | |
| SCHEMBL23501355 | 0.90 | ROCK2 (0.44) | ROCK2ROCK1HDAC7GAA | |
| SCHEMBL23501353 | 0.90 | ROCK2 (0.44) | ROCK2ROCK1HDAC7GAA | |
| SCHEMBL28573833 | 0.90 | ROCK2 (0.38) | ALDH1A1ROCK2ROCK1HDAC1HDAC7 |
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 |