Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28901323 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19KDM1APOLB | |
| SCHEMBL28901307 | 0.86 | DRD2 (0.47) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29924394 | 0.86 | DRD2 (0.47) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28901298 | 0.83 | SIGMAR1 (0.47) | SMN1; SMN2NPC1RAB9ASIGMAR1 | |
| SCHEMBL29924210 | 0.83 | SIGMAR1 (0.47) | SMN1; SMN2NPC1RAB9ASIGMAR1 | |
| SCHEMBL29924513 | 0.81 | DRD2 (0.51) | — | |
| SCHEMBL28901301 | 0.81 | DRD2 (0.51) | — | |
| SCHEMBL28901302 | 0.76 | DRD2 (0.45) | — | |
| SCHEMBL28901318 | 0.75 | DRD2 (0.52) | — | |
| SCHEMBL29924191 | 0.75 | DRD2 (0.52) | — |
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 |