Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20066051 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1MEN1KMT2A | |
| SCHEMBL30179220 | 0.93 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1MEN1KMT2A | |
| SCHEMBL20066050 | 0.93 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1MEN1KMT2A | |
| SCHEMBL30179202 | 0.92 | SMN1; SMN2 (0.49) | ALDH1A1KDM4EMAPK1MEN1KMT2A | |
| SCHEMBL20066048 | 0.92 | SMN1; SMN2 (0.49) | ALDH1A1KDM4EMAPK1MEN1KMT2A | |
| SCHEMBL30179251 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPK1HRH3MAPK14 | |
| SCHEMBL20066054 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPK1HRH3MAPK14 | |
| SCHEMBL30179395 | 0.87 | OPRM1 (0.46) | MAPK1MEN1KMT2AHRH3GAA | |
| SCHEMBL20066046 | 0.87 | OPRM1 (0.46) | MAPK1MEN1KMT2AHRH3GAA | |
| SCHEMBL20066055 | 0.87 | MGLL (0.43) | MAPK1HRH3MAPK14GAAALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109996792-B | Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain | 赫普泰雅治疗有限公司 | 2023-02-17 | — | — | CN | disclosed |