Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN7A | Q01118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL28901289 | 1.00 | SCN7A (0.48) | SCN7AALDH1A1TSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL28901306 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL29924003 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL31033172 | 0.73 | SCN7A (0.56) | SCN7AALDH1A1BRD4KMT2ALMNA | |
| SCHEMBL29924394 | 0.71 | DRD2 (0.47) | CYP1A2CYP2D6CYP2C19BRD4 | |
| SCHEMBL28901307 | 0.71 | DRD2 (0.47) | CYP1A2CYP2D6CYP2C19BRD4 | |
| SCHEMBL20373742 | 0.70 | MAPK1 (0.43) | SCN7AALDH1A1TSHRSMN1; SMN2CYP2D6 | |
| SCHEMBL18326368 | 0.70 | HTT (0.48) | SMN1; SMN2BRD4CREBBPKMT2ALMNA | |
| SCHEMBL18546858 | 0.69 | SIGMAR1 (0.44) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL708145 | 0.69 | CA12 (0.41) | SCN7ABRD4KMT2ACNR1 |
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 |