Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL9543643 | 0.84 | ESR1 (0.37) | ALDH1A1ESR1ESR2CYP3A4TAAR1 | |
| SCHEMBL5704618 | 0.84 | ESR1 (0.53) | SLC6A2ESR1ESR2TAAR1 | |
| SCHEMBL6556276 | 0.81 | EPHX1 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6TAAR1 | |
| SCHEMBL10622532 | 0.81 | EPHX1 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6TAAR1 | |
| Hydrochloric Acid SCHEMBL5711578 | 0.80 | EPHX1 (0.47) | SLC6A4SLC6A2SLC6A3CYP2D6TAAR1 | |
| Hydrochloric Acid SCHEMBL5381337 | 0.76 | SLC6A4 (0.57) | SLC6A4SLC6A2SLC6A3GAAPPARG | |
| SCHEMBL5750538 | 0.74 | CNR2 (0.49) | SLC6A4SLC6A2SLC6A3PPARGPPARA | |
| SCHEMBL10763436 | 0.74 | SLC6A4 (0.67) | SLC6A4SLC6A2SLC6A3PPARGPPARA | |
| SCHEMBL6307263 | 0.73 | HTR2A (0.54) | CYP1A2HTR2AHTR2B | |
| SCHEMBL5812524 | 0.73 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3PPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1243576-B1 | PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROMETHYLCARBINOL DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO (JP) | 2006-10-11 | — | — | EP | disclosed |
| US-6646150-B1 | Reacting 1,3-oxazolidin-5-one derivative with trialkyl-(trifluoromethyl)silane; removing trialkylsilyl group; reductive decyclization | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| EP-1243576-A1 | PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROCARBINOL DERIVATIVES | Dainippon Pharmaceutical Co., Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |