Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL480013 | 0.93 | RXRB (0.35) | RXRBRXRAPDK2PRKAB2PRKAG1 | |
| SCHEMBL480103 | 0.93 | GRIK1 (0.40) | RXRBRXRAPDK2PRKAB2PRKAG1 | |
| SCHEMBL479948 | 0.92 | ERCC1 (0.36) | RXRBRXRAPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL480183 | 0.91 | PRKAB2 (0.37) | RXRBRXRAPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL479931 | 0.90 | S1PR2 (0.33) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL480079 | 0.90 | PDK2 (0.40) | PDK2ERCC1ERCC4SMN1; SMN2PDE2A | |
| SCHEMBL479995 | 0.87 | PDK2 (0.36) | RXRBRXRAPDK2PRKAB2PRKAG1 | |
| SCHEMBL753062 | 0.87 | PDK2 (0.36) | RXRBRXRAPDK2PRKAB2PRKAG1 | |
| SCHEMBL479944 | 0.86 | RXRA (0.39) | RXRBRXRA | |
| SCHEMBL479738 | 0.85 | BDKRB1 (0.35) | PDK2ERCC1ERCC4 |
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 |