Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 7/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 4/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.34 |
| ▸ | RHEB | Q15382 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
| ▸ | PPOX | P50336 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL480155 | 0.92 | SCN8A (0.36) | SCN9ASCN8ASCN10A | |
| SCHEMBL480084 | 0.84 | S1PR2 (0.33) | RHEB | |
| SCHEMBL479955 | 0.83 | IGFBP3 (0.35) | RHEB | |
| SCHEMBL480182 | 0.83 | SCN9A (0.33) | SCN9A | |
| SCHEMBL480037 | 0.82 | SCN8A (0.34) | SCN9ASCN8ASCN10ARHEBMEN1 | |
| SCHEMBL15789678 | 0.80 | MCL1 (0.35) | RHEB | |
| SCHEMBL754534 | 0.79 | SCN8A (0.35) | SCN9ASCN8ASCN10AMEN1TTR | |
| SCHEMBL733289 | 0.79 | SCN8A (0.35) | SCN9ASCN8ASCN10AMEN1TTR | |
| SCHEMBL480109 | 0.78 | PDK2 (0.36) | — | |
| SCHEMBL480171 | 0.78 | CYP11B1 (0.35) | SCN9A |
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 | claimed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | claimed |