Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 4/20 | 0.38 |
| ▸ | RXRB | P28702 | 4/20 | 0.38 |
| ▸ | RXRG | P48443 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | RBP1 | P09455 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9576702 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL12918718 | 0.82 | HTT (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL12567492 | 0.82 | ADRA1A (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL9720624 | 0.81 | LMNA (0.56) | ALDH1A1MEN1KMT2AHTR4HTR2A | |
| SCHEMBL9576976 | 0.80 | HMGCR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL10657187 | 0.78 | THRB (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL4255074 | 0.78 | PDE4D (0.53) | ALDH1A1MEN1KMT2A | |
| SCHEMBL9720580 | 0.77 | HMGCR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9STAT6 | |
| SCHEMBL3427457 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10ADRA1ARBP1 | |
| SCHEMBL3424668 | 0.77 | MAPT (0.50) | ALDH1A1RXRARXRBRXRGADRA1A |
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 |