Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 4/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | GALK1 | P51570 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720532 | 0.88 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAPPARATAS1R3 | |
| SCHEMBL27823832 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KDM4EGAAPPARATPMT | |
| SCHEMBL21880315 | 0.81 | TPMT (0.69) | ALDH1A1KDM4EGAATPMTTAS1R3 | |
| SCHEMBL24481314 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAAPPARATPMT | |
| SCHEMBL20607356 | 0.78 | PPARA (0.42) | ALDH1A1KDM4EGAAPPARAPPARG | |
| SCHEMBL29628706 | 0.78 | PPARA (0.42) | ALDH1A1KDM4EGAAPPARAPPARG | |
| SCHEMBL16502263 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAPPARATAS1R3 | |
| SCHEMBL2274464 | 0.76 | CYP3A4 (0.44) | PPARAHPGDMEN1KMT2APPARG | |
| SCHEMBL28656864 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAPPARATPMT | |
| SCHEMBL27916624 | 0.74 | PPARA (0.51) | ALDH1A1KDM4EPPARAMEN1KMT2A |
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 |