Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31643643 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA9L3MBTL1KMT2AMEN1 | |
| SCHEMBL9720578 | 0.76 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1KMT2AMEN1HMGCR | |
| SCHEMBL9720594 | 0.74 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1HMGCRLMNASMN1; SMN2 | |
| SCHEMBL9720595 | 0.74 | KMT2A (0.47) | ALDH1A1CA9L3MBTL1KMT2AMEN1 | |
| SCHEMBL6863655 | 0.73 | CA9 (0.54) | CA9KMT2AMEN1CYP3A4HMGCR | |
| SCHEMBL17111287 | 0.73 | MEN1 (0.45) | ALDH1A1CA9L3MBTL1KMT2AMEN1 | |
| SCHEMBL9752929 | 0.71 | HMGCR (0.50) | ALDH1A1CA9KMT2AMEN1CYP3A4 | |
| SCHEMBL9720612 | 0.71 | CYP3A4 (0.57) | ALDH1A1KMT2AMEN1CYP3A4PTGS1 | |
| SCHEMBL9720532 | 0.71 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KMT2AMEN1HMGCR | |
| SCHEMBL1623979 | 0.70 | METAP2 (0.49) | ALDH1A1CA9L3MBTL1DRD2HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |