Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.38 |
| ▸ | KCND3 | Q9UK17 | 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 | |
|---|---|---|---|---|
| SCHEMBL3658241 | 0.84 | KCNA5 (0.45) | CYP19A1ALDH1A1LMNASLC6A4SLC6A3 | |
| SCHEMBL3658338 | 0.82 | MEN1 (0.46) | CYP19A1LMNASLC6A4CYP3A4KMT2A | |
| SCHEMBL11458875 | 0.82 | IDO1 (0.51) | LMNAKMT2AMEN1MAPTIDO1 | |
| SCHEMBL6501170 | 0.81 | CYP19A1 (0.46) | CYP19A1ALDH1A1KDM4EPKMSLC6A4 | |
| SCHEMBL6503338 | 0.80 | CYP19A1 (0.62) | CYP19A1SLC6A4SLC6A3CYP3A4CYP3A5 | |
| SCHEMBL10968603 | 0.79 | CYP19A1 (0.51) | CYP19A1ALDH1A1LMNAKDM4EPKM | |
| SCHEMBL2474024 | 0.78 | KCNA5 (0.47) | CYP19A1ALDH1A1LMNASLC6A4SLC6A3 | |
| SCHEMBL4686827 | 0.78 | TP53 (0.44) | CYP19A1LMNAKMT2AMEN1IDO1 | |
| SCHEMBL10967991 | 0.78 | SMN1; SMN2 (0.53) | CYP19A1ALDH1A1LMNAKDM4EPKM | |
| Hydrochloric Acid SCHEMBL11192967 | 0.78 | CYP19A1 (0.50) | CYP19A1ALDH1A1LMNAKDM4EPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205562-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | disclosed |