Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28901304 | 1.00 | CHRM1 (0.53) | CHRM1NOS3NOS1DRD2DRD4 | |
| SCHEMBL14761529 | 0.82 | DRD2 (0.61) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL2675486 | 0.81 | ATAD2 (0.62) | CHRM1NOS3NOS1DRD2DRD4 | |
| SCHEMBL4223959 | 0.80 | CHRM1 (0.52) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL2676164 | 0.79 | ATAD2 (0.63) | CHRM1NOS3NOS1DRD2DRD4 | |
| SCHEMBL1763944 | 0.79 | CHRM1 (0.52) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL1764560 | 0.79 | CHRM1 (0.52) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL14761351 | 0.78 | DRD3 (0.49) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL31033189 | 0.77 | DRD2 (0.64) | CHRM1DRD2DRD4DRD3 | |
| SCHEMBL2675181 | 0.77 | GRIN1 (0.55) | NOS3NOS1DRD2DRD4DRD3 |
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 3 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-B | Novel alkylaminos or salts, isomers, preparation method and application thereof | 成都硕德药业有限公司 | 2024-12-17 | — | — | CN | disclosed |
| 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 |