Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 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 | |
|---|---|---|---|---|
| SCHEMBL28901303 | 1.00 | HRH3 (0.49) | HRH3BRD4PRKDCEPHX2ABL1 | |
| SCHEMBL28901316 | 0.86 | DRD2 (0.48) | — | |
| SCHEMBL29924284 | 0.86 | DRD2 (0.48) | — | |
| SCHEMBL28901295 | 0.85 | BRD4 (0.50) | HRH3BRD4 | |
| SCHEMBL29924500 | 0.85 | BRD4 (0.50) | HRH3BRD4 | |
| SCHEMBL28901313 | 0.84 | BRD4 (0.43) | BRD4 | |
| SCHEMBL28901318 | 0.83 | DRD2 (0.52) | BRD4 | |
| SCHEMBL29924191 | 0.83 | DRD2 (0.52) | BRD4 | |
| SCHEMBL29924292 | 0.83 | DRD2 (0.52) | BRD4 | |
| SCHEMBL28901320 | 0.83 | DRD2 (0.52) | BRD4 |
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 |