Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924394 | 1.00 | DRD2 (0.47) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL28901301 | 0.95 | DRD2 (0.51) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL29924513 | 0.95 | DRD2 (0.51) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL29924461 | 0.90 | DRD2 (0.45) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL28901302 | 0.90 | DRD2 (0.45) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924191 | 0.90 | DRD2 (0.52) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL29924292 | 0.90 | DRD2 (0.52) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL28901318 | 0.90 | DRD2 (0.52) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL28901320 | 0.90 | DRD2 (0.52) | DRD2DRD4DRD3ADRB2CHRM2 | |
| SCHEMBL29924272 | 0.87 | DRD2 (0.50) | DRD2DRD4DRD3ADRB2CHRM2 |
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 |