Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.36 |
| ▸ | PDE9A | O76083 | 3/20 | 0.36 |
| ▸ | KRAS | P01116 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL29588826 | 0.99 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26344207 | 0.99 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26662006 | 0.99 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL30637047 | 0.98 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Diethylamine SCHEMBL30637040 | 0.94 | CHRM2 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL30459661 | 0.90 | PDE9A (0.39) | NTRK1PDE9AMAPK1OPRM1OPRL1 | |
| SCHEMBL26344218 | 0.90 | PDE9A (0.39) | NTRK1PDE9AMAPK1OPRM1OPRL1 | |
| SCHEMBL30811374 | 0.84 | IDH1 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26345799 | 0.83 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26345985 | 0.80 | PDE2A (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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-117088854-A | Pharmaceutically acceptable salts and crystal forms of triazinedione derivatives and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2023-11-21 | — | — | CN | disclosed |