Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720581 | 0.83 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1HMGCRHTTLMNA | |
| SCHEMBL10920134 | 0.79 | KDM4E (0.55) | ALDH1A1KDM4EKMT2AMEN1ACHE | |
| SCHEMBL8431119 | 0.79 | KDM4E (0.41) | ALDH1A1HTTKDM4EKMT2AMEN1 | |
| SCHEMBL9720645 | 0.79 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1HMGCRHTTLMNA | |
| SCHEMBL16870471 | 0.78 | HPGD (0.49) | ALDH1A1L3MBTL1TSHRLMNAKDM4E | |
| SCHEMBL12505480 | 0.78 | NNMT (0.50) | ALDH1A1TSHRHTTLMNAKDM4E | |
| SCHEMBL9191019 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4EACHE | |
| SCHEMBL12345885 | 0.78 | KDM4E (0.46) | ALDH1A1KDM4EKMT2AMEN1GAA | |
| SCHEMBL9720578 | 0.76 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1HMGCRTSHRLMNA | |
| Zinc Ion SCHEMBL9191012 | 0.76 | KDM4E (0.39) | ALDH1A1KDM4EKMT2AMEN1ACHE |
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 |