Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9563342 | 0.99 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563207 | 0.94 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9563227 | 0.94 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563261 | 0.91 | CYP2D6 (0.48) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9563338 | 0.91 | CYP2D6 (0.48) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563329 | 0.89 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563333 | 0.85 | CYP2D6 (0.60) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563219 | 0.84 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9563346 | 0.83 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9563209 | 0.83 | PARP14 (0.42) | CYP2D6CYP2C19ALDH1A1BCHELTA4H |
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 |