Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
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 SCHEMBL8687121 | 0.99 | CYP2D6 (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL7591195 | 0.86 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL7591201 | 0.86 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL10350134 | 0.85 | CYP17A1 (0.46) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8014032 | 0.84 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL8529142 | 0.84 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL169116 | 0.84 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL355959 | 0.84 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8014025 | 0.84 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8686514 | 0.83 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983995-B1 | Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds | GRUENENTHAL GMBH (DE) | 2004-03-31 | — | — | EP | disclosed |
| EP-1069106-B1 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | GRUENENTHAL GMBH (DE) | 2004-01-28 | — | — | EP | disclosed |
| EP-0799819-B1 | 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity | GRUENENTHAL GMBH (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1069106-A2 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | Grünenthal GmbH (DE) | 2001-01-17 | — | — | EP | disclosed |
| EP-0983995-A2 | Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds | Grünenthal GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| EP-0799819-A1 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | Grünenthal GmbH (DE) | 1997-10-08 | — | — | EP | disclosed |