Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | 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 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28901278 | 1.00 | TRPV1 (0.43) | TRPV1ALDH1A1TP53DRD2DRD4 | |
| SCHEMBL28901344 | 1.00 | TRPV1 (0.43) | TRPV1ALDH1A1TP53DRD2DRD4 | |
| SCHEMBL29924180 | 1.00 | TRPV1 (0.43) | TRPV1ALDH1A1TP53DRD2DRD4 | |
| SCHEMBL28901310 | 0.91 | DRD2 (0.43) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL29924503 | 0.91 | DRD2 (0.43) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL28901302 | 0.79 | DRD2 (0.45) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL29924461 | 0.79 | DRD2 (0.45) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL28901308 | 0.78 | NOS3 (0.44) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL29924295 | 0.77 | DRD2 (0.43) | TRPV1DRD2DRD4DRD3CHRM2 | |
| SCHEMBL29924398 | 0.76 | ADRA1B (0.47) | TP53DRD2DRD4DRD3BRD4 |
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 2 patents. 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 | claimed |
| 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 |