Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN8A | Q9UQD0 | 5/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 5/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.32 |
| ▸ | ESRRA | P11474 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL480320 | 0.92 | SCN9A (0.34) | SCN8ASCN10ASCN9A | |
| SCHEMBL480092 | 0.85 | PDE2A (0.34) | PDE2AESRRA | |
| SCHEMBL480166 | 0.84 | BDKRB1 (0.36) | SCN9APDE2A | |
| SCHEMBL480149 | 0.84 | KDR (0.32) | PDE2AESRRA | |
| SCHEMBL479957 | 0.82 | SCN8A (0.36) | SCN8ASCN10ASCN9AP2RX3 | |
| SCHEMBL752370 | 0.80 | SCN8A (0.36) | SCN8ASCN10ASCN9AP2RX3 | |
| SCHEMBL480156 | 0.80 | SCN8A (0.36) | SCN8ASCN10ASCN9AP2RX3 | |
| SCHEMBL480185 | 0.80 | PDK2 (0.40) | PDE2AP2RX3 | |
| SCHEMBL479955 | 0.79 | IGFBP3 (0.35) | LMNA | |
| SCHEMBL480086 | 0.78 | CHEK1 (0.37) | PDE2ALMNA |
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 |