Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23744120 | 0.91 | CYP2D6 (0.45) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL24945761 | 0.90 | HTR7 (0.44) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL24945665 | 0.88 | MAPK1 (0.45) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL24944794 | 0.86 | ALDH1A1 (0.40) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL26087084 | 0.86 | CHRM2 (0.56) | CYP2D6HTR7CYP3A4CYP1A2USP2 | |
| SCHEMBL26089375 | 0.86 | CYP3A4 (0.46) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL24945637 | 0.85 | CYP3A4 (0.41) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL24944734 | 0.84 | CYP3A4 (0.40) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL23744790 | 0.83 | CHRM2 (0.41) | CYP2D6ALDH1A1HTR7CYP3A4CYP1A2 | |
| SCHEMBL30345522 | 0.78 | CHRM2 (0.57) | ALDH1A1CHRM2CHRM1CHRM4TSHR |
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-2021158698-A1 | MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-08-12 | — | — | WO | disclosed |