Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563244 | 0.90 | CYP2D6 (0.46) | CYP2D6KDM4ECYP2C19ALDH1A1TDP1 | |
| SCHEMBL9563207 | 0.85 | CYP2D6 (0.52) | CYP2D6KDM4ECYP2C19ALDH1A1NPC1 | |
| SCHEMBL9563336 | 0.85 | CYP2D6 (0.39) | CYP2D6CYP1A2BCHECHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL9563227 | 0.84 | CYP2D6 (0.52) | CYP2D6KDM4ECYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL9563216 | 0.83 | NPC1 (0.40) | CYP2D6KDM4ECYP2C19ALDH1A1TDP1 | |
| SCHEMBL9563259 | 0.82 | MEN1 (0.35) | CYP2D6ALDH1A1SMN1; SMN2CHRM2HTR1A | |
| SCHEMBL9563279 | 0.81 | BCHE (0.42) | CYP2D6KDM4ECYP2C19NPC1RAB9A | |
| SCHEMBL9565888 | 0.80 | BCHE (0.38) | CYP2D6KDM4ECYP2C19RAB9ACYP1A2 | |
| SCHEMBL9563330 | 0.80 | BCHE (0.38) | CYP2D6KDM4ECYP2C19RAB9ACYP1A2 | |
| SCHEMBL9563326 | 0.80 | BCHE (0.38) | CYP2D6KDM4ECYP2C19RAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0529365-A1 | Diarylmethoxypiperidine derivatives | Kaken Pharmaceutical Co., Ltd. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-5190959-A | Antihistamines, antiallergens, treatment of ischemic heart disease | KAKEN PHARMACEUTICAL CO. LTD. (JP) | 1993-03-02 | — | — | US | disclosed |