Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23963713 | 0.91 | ROCK2 (0.68) | ROCK2ALDH1A1HDAC1KDM4EL3MBTL1 | |
| SCHEMBL23927671 | 0.85 | ROCK2 (0.51) | ROCK2ROCK1 | |
| SCHEMBL23927676 | 0.85 | ROCK2 (0.51) | ROCK2ROCK1 | |
| SCHEMBL23501456 | 0.84 | POLB (0.38) | ROCK2ALDH1A1LMNAHTTNPC1 | |
| SCHEMBL23501352 | 0.82 | ROCK2 (0.78) | ROCK2ROCK1 | |
| SCHEMBL21376079 | 0.80 | ROCK2 (0.60) | ROCK2ALDH1A1HDAC1ROCK1 | |
| SCHEMBL23116459 | 0.76 | ROCK2 (0.60) | ROCK2ALDH1A1LMNAHDAC1MAPT | |
| SCHEMBL23116458 | 0.76 | ROCK2 (0.60) | ROCK2ALDH1A1LMNAHDAC1MAPT | |
| SCHEMBL23116444 | 0.75 | ROCK2 (0.78) | ROCK2ROCK1 | |
| SCHEMBL21376021 | 0.75 | ROCK2 (0.78) | ROCK2ROCK1 |
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 |