Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20066057 | 1.00 | KCNH2 (0.53) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL23778441 | 0.87 | CALCRL (0.40) | CALCRLALDH1A1 | |
| SCHEMBL20066064 | 0.86 | CHRM4 (0.48) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL20066060 | 0.85 | KCNH2 (0.52) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL30179259 | 0.85 | KCNH2 (0.52) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL30179395 | 0.85 | OPRM1 (0.46) | KCNH2CHRM4CHRM2MAPK1CHRM1 | |
| SCHEMBL20066046 | 0.85 | OPRM1 (0.46) | KCNH2CHRM4CHRM2MAPK1CHRM1 | |
| SCHEMBL30179222 | 0.84 | MAPK1 (0.41) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL20066058 | 0.84 | MAPK1 (0.41) | KCNH2CHRM4CHRM2MAPK1NOS2 | |
| SCHEMBL21120271 | 0.84 | CHRM4 (0.47) | KCNH2CHRM4CHRM2MAPK1NOS2 |
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 |