Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL7591201 | 1.00 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8014032 | 0.99 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8014025 | 0.99 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL169116 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL355959 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL8529142 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL7045165 | 0.86 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| Hydrochloric Acid SCHEMBL8686514 | 0.86 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL13305025 | 0.86 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19HSD17B10AOC3 | |
| SCHEMBL669921 | 0.85 | CYP2D6 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |