Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 5/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL479955 | 0.86 | IGFBP3 (0.35) | — | |
| SCHEMBL479869 | 0.82 | CYP11B1 (0.35) | CYP11B1HTR2AKCNH2SLC6A4AR | |
| SCHEMBL481056 | 0.80 | CYP11B1 (0.36) | CYP11B1HTR2AKCNH2SLC6A4AR | |
| SCHEMBL15789678 | 0.79 | MCL1 (0.35) | FFAR1 | |
| SCHEMBL733559 | 0.79 | CYP11B1 (0.38) | CYP11B1HTR2AKCNH2SLC6A4AR | |
| SCHEMBL480172 | 0.78 | NR3C1 (0.34) | ARNR3C1PGRNR3C2FFAR1 | |
| SCHEMBL480155 | 0.78 | SCN8A (0.36) | SCN9A | |
| SCHEMBL480320 | 0.78 | SCN9A (0.34) | SCN9A | |
| SCHEMBL474548 | 0.77 | AR (0.35) | CYP11B1HTR2AKCNH2SLC6A4AR | |
| SCHEMBL480110 | 0.77 | SLC22A12 (0.37) | CYP11B1HTR2AKCNH2SLC6A4AR |
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-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |