Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | STAT6 | P42226 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9576976 | 0.87 | HMGCR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL12918718 | 0.86 | HTT (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL9720580 | 0.84 | HMGCR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL9720538 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL3424668 | 0.80 | MAPT (0.50) | ALDH1A1ADRA1A | |
| SCHEMBL3427457 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10ADRA1A | |
| SCHEMBL12567492 | 0.79 | ADRA1A (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL9720624 | 0.79 | LMNA (0.56) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8295144 | 0.78 | ADRA1A (0.45) | ALDH1A1CYP1A2HSD17B10MEN1KMT2A | |
| SCHEMBL19126067 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HSD17B10MEN1KMT2ATHRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200942-B1 | NEW DERIVATIVES OF AN AMINOKETONE | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-5103022-A | Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1992-04-07 | — | — | US | disclosed |
| US-5057535-A | Muscle relaxants | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1991-10-15 | — | — | US | disclosed |
| EP-0200942-A2 | New derivatives of an aminoketone | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1986-11-12 | — | — | EP | disclosed |