Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | DRD3 | P35462 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924272 | 1.00 | DRD2 (0.50) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924191 | 0.98 | DRD2 (0.52) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924292 | 0.98 | DRD2 (0.52) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL28901318 | 0.98 | DRD2 (0.52) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL28901320 | 0.98 | DRD2 (0.52) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924394 | 0.87 | DRD2 (0.47) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL28901307 | 0.87 | DRD2 (0.47) | DRD2DRD4DRD3CHRM2CHRM4 | |
| SCHEMBL29924500 | 0.87 | BRD4 (0.50) | DRD2DRD4DRD3CHRM1BRD4 | |
| SCHEMBL28901295 | 0.87 | BRD4 (0.50) | DRD2DRD4DRD3CHRM1BRD4 | |
| SCHEMBL28901290 | 0.84 | CYP1A2 (0.55) | — |
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 |