Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924295 | 1.00 | DRD2 (0.43) | DRD2DRD4DRD3TRPV1HRH3 | |
| SCHEMBL28901302 | 0.97 | DRD2 (0.45) | DRD2DRD4DRD3TRPV1HRH3 | |
| SCHEMBL29924461 | 0.97 | DRD2 (0.45) | DRD2DRD4DRD3TRPV1HRH3 | |
| SCHEMBL28901307 | 0.87 | DRD2 (0.47) | DRD2DRD4DRD3BRD4CHRM2 | |
| SCHEMBL29924394 | 0.87 | DRD2 (0.47) | DRD2DRD4DRD3BRD4CHRM2 | |
| SCHEMBL29924513 | 0.82 | DRD2 (0.51) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL28901301 | 0.82 | DRD2 (0.51) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924272 | 0.81 | DRD2 (0.50) | DRD2DRD4DRD3BRD4CHRM2 | |
| SCHEMBL28901294 | 0.81 | DRD2 (0.50) | DRD2DRD4DRD3BRD4CHRM2 | |
| SCHEMBL28901351 | 0.80 | ADRA1B (0.47) | DRD2DRD4DRD3BRD4GRIN1 |
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-115073370-A | Novel alkylammonium compound or salt, isomer, preparation method and application thereof | 成都硕德药业有限公司 | 2022-09-20 | — | — | CN | disclosed |