Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 9/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3658449 | 0.85 | NR3C1 (0.41) | SMONR3C1CYP11B1CYP11B2 | |
| SCHEMBL3659346 | 0.85 | NR3C1 (0.38) | SMONR3C1CYP11B1CYP11B2 | |
| SCHEMBL837360 | 0.75 | NR3C1 (0.43) | NR3C1CYP11B1CYP11B2SCN9A | |
| SCHEMBL1414860 | 0.69 | NR3C1 (0.42) | NR3C1CYP11B1CYP11B2TP53SCN9A | |
| SCHEMBL1414583 | 0.67 | ADRA2C (0.31) | — | |
| SCHEMBL3658681 | 0.67 | MAPT (0.32) | KCNH2 | |
| SCHEMBL3660501 | 0.64 | MAPT (0.32) | — | |
| SCHEMBL838615 | 0.64 | NR3C1 (0.43) | SMONR3C1CYP11B1CYP11B2SCN9A | |
| SCHEMBL837940 | 0.63 | NR3C1 (0.51) | NR3C1CYP11B1CYP11B2 | |
| SCHEMBL838977 | 0.62 | SMO (0.43) | SMONR3C1CYP11B1CYP11B2TP53 |
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 4 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 | claimed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | claimed |
| 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 |