Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 4/20 | 0.33 |
| ▸ | RARA | P10276 | 3/20 | 0.33 |
| ▸ | RARG | P13631 | 2/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 4/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL480109 | 0.93 | PDK2 (0.36) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480166 | 0.90 | BDKRB1 (0.36) | SCN9ASCN5APDE2APDK2NPC1 | |
| SCHEMBL479986 | 0.88 | PRKAB2 (0.37) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480185 | 0.85 | PDK2 (0.40) | PDE2APDK2 | |
| SCHEMBL480320 | 0.83 | SCN9A (0.34) | SCN9A | |
| SCHEMBL752284 | 0.82 | PRKAB2 (0.34) | RARBRARARARGPRKAB2PRKAG1 | |
| SCHEMBL480080 | 0.82 | PRKAB2 (0.34) | RARBRARARARGPRKAB2PRKAG1 | |
| SCHEMBL480086 | 0.82 | CHEK1 (0.37) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480013 | 0.80 | RXRB (0.35) | RARBRARARARGPRKAB2PRKAG1 | |
| SCHEMBL12187886 | 0.79 | GRIA1 (0.38) | RARBRARARARGPRKAB2PRKAG1 |
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 |