Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL246385 | 0.84 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL20569179 | 0.83 | HRH3 (0.47) | HRH3 | |
| Bromide SCHEMBL11669278 | 0.82 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL20569188 | 0.82 | TAAR1 (0.42) | SIGMAR1SMN1; SMN2 | |
| SCHEMBL20569164 | 0.82 | SLC6A3 (0.54) | SLC6A3SIGMAR1NPC1DRD2 | |
| SCHEMBL4281294 | 0.81 | POLB (0.51) | SLC6A3SIGMAR1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL9854461 | 0.79 | ALDH1A1 (0.57) | SLC6A3SIGMAR1NPC1ALDH1A1MAPK1 | |
| SCHEMBL27691816 | 0.77 | ALB (0.45) | SLC6A3SIGMAR1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL20569072 | 0.76 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL27754661 | 0.74 | ALDH1A1 (0.47) | SLC6A3CYP1A2CYP2D6ALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022257581-A1 | A CLASS OF IMIDAZOLIDINOPYRIMIDONE COMPOUNDS AND USE THEREOF IN TREATMENT OF HSCLPP-MEDIATED DISEASES | 四川大学 | 2022-12-15 | — | — | WO | disclosed |
| EP-1185521-B1 | SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | DAIICHI SUNTORY PHARMA CO LTD (JP) | 2004-10-06 | — | — | EP | disclosed |