Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | DRD4 | P21917 | 4/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | BRD4 | O60885 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL29924398 | 1.00 | ADRA1B (0.47) | ADRA1BHTR1ADRD2DRD4DRD3 | |
| SCHEMBL29923962 | 0.91 | NOS3 (0.48) | ADRA1BHTR1ADRD2DRD4DRD3 | |
| SCHEMBL28901282 | 0.91 | NOS3 (0.48) | ADRA1BHTR1ADRD2DRD4DRD3 | |
| SCHEMBL28901360 | 0.89 | SIGMAR1 (0.47) | ADRA1BHTR1ADRD2DRD4DRD3 | |
| SCHEMBL29924454 | 0.89 | SIGMAR1 (0.47) | ADRA1BHTR1ADRD2DRD4DRD3 | |
| SCHEMBL28901302 | 0.82 | DRD2 (0.45) | DRD2DRD4DRD3BRD4GRIN1 | |
| SCHEMBL29924461 | 0.82 | DRD2 (0.45) | DRD2DRD4DRD3BRD4GRIN1 | |
| SCHEMBL29924295 | 0.80 | DRD2 (0.43) | DRD2DRD4DRD3BRD4GRIN1 | |
| SCHEMBL28901280 | 0.80 | DRD2 (0.43) | DRD2DRD4DRD3BRD4GRIN1 | |
| SCHEMBL31033189 | 0.75 | DRD2 (0.64) | ADRA1BDRD2DRD4DRD3TP53 |
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 |