Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.32 |
| ▸ | ESRRA | P11474 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL479869 | 0.93 | CYP11B1 (0.35) | ARFFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL479714 | 0.85 | MRGPRX4 (0.36) | FFAR1HTR2AKCNH2SLC6A4PDK1 | |
| SCHEMBL480386 | 0.84 | AR (0.37) | ARFFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL734622 | 0.84 | AR (0.37) | ARFFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL480467 | 0.84 | AR (0.37) | ARFFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL480811 | 0.81 | FFAR1 (0.40) | ARFFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL479715 | 0.81 | IGFBP3 (0.35) | FFAR1HTR2AKCNH2SLC6A4 | |
| SCHEMBL480101 | 0.81 | MCL1 (0.35) | FFAR1 | |
| SCHEMBL479931 | 0.80 | S1PR2 (0.33) | — | |
| SCHEMBL479958 | 0.79 | MCL1 (0.41) | FFAR1 |
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 |