Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 7/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25628030 | 1.00 | ACHE (0.44) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL19447227 | 0.83 | MAPKAPK2 (0.42) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL6114620 | 0.83 | ACHE (0.44) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL28277722 | 0.81 | ACHE (0.46) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL20828069 | 0.81 | ACHE (0.46) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL17481893 | 0.81 | ACHE (0.46) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL2669155 | 0.81 | ACHE (0.46) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL764748 | 0.81 | ACHE (0.46) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL11631917 | 0.79 | ACHE (0.44) | ACHEMAPKAPK2ALDH1A1HPGDACP3 | |
| SCHEMBL23429020 | 0.79 | ACP3 (0.45) | ACHEACP3EPHX1GPR139 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |