Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL2381417 | 0.82 | GSK3B (0.52) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL8546247 | 0.80 | CYP3A4 (0.55) | CYP3A4KMT2APOLBALDH1A1HMGCR | |
| SCHEMBL9512327 | 0.79 | HTT (0.64) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL11210247 | 0.79 | MEN1 (0.50) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL28091408 | 0.78 | KMT2A (0.49) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL28154597 | 0.78 | KMT2A (0.49) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL484746 | 0.77 | KMT2A (0.64) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL2383124 | 0.77 | CYP3A4 (0.58) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL28155500 | 0.77 | CYP3A4 (0.65) | CYP3A4HPGDKMT2APOLBMEN1 | |
| SCHEMBL27898917 | 0.77 | NPC1 (0.45) | HPGDPTGS1HTTMTNR1AMTNR1B |
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 |