Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924454 | 1.00 | SIGMAR1 (0.47) | SIGMAR1ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL29924398 | 0.89 | ADRA1B (0.47) | SIGMAR1ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL28901351 | 0.89 | ADRA1B (0.47) | SIGMAR1ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL29924210 | 0.86 | SIGMAR1 (0.47) | SIGMAR1KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL28901298 | 0.86 | SIGMAR1 (0.47) | SIGMAR1KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL28901318 | 0.86 | DRD2 (0.52) | ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL28901320 | 0.86 | DRD2 (0.52) | ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL29924292 | 0.86 | DRD2 (0.52) | ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL29924191 | 0.86 | DRD2 (0.52) | ADRA1BDRD2DRD4DRD3 | |
| SCHEMBL28901300 | 0.85 | USP2 (0.46) | ADRA1BDRD2DRD4DRD3KDM4E |
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 |