Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28901313 | 1.00 | BRD4 (0.43) | BRD4DRD2DRD4DRD3KDM4E | |
| SCHEMBL28901291 | 0.87 | CYP1A2 (0.48) | DRD2DRD4DRD3KDM4EGRIN1 | |
| SCHEMBL29924217 | 0.87 | CYP1A2 (0.48) | DRD2DRD4DRD3KDM4EGRIN1 | |
| SCHEMBL29924232 | 0.84 | HRH3 (0.49) | BRD4 | |
| SCHEMBL28901303 | 0.84 | HRH3 (0.49) | BRD4 | |
| SCHEMBL28901300 | 0.82 | USP2 (0.46) | DRD2DRD4DRD3KDM4EUSP2 | |
| SCHEMBL29924205 | 0.82 | USP2 (0.46) | DRD2DRD4DRD3KDM4EUSP2 | |
| SCHEMBL28901320 | 0.80 | DRD2 (0.52) | BRD4DRD2DRD4DRD3 | |
| SCHEMBL29924191 | 0.80 | DRD2 (0.52) | BRD4DRD2DRD4DRD3 | |
| SCHEMBL28901318 | 0.80 | DRD2 (0.52) | BRD4DRD2DRD4DRD3 |
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 |