Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 4/20 | 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 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 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 | |
|---|---|---|---|---|
| SCHEMBL480182 | 0.93 | SCN9A (0.33) | PDK2RXRARXRBPDE2AGRIK1 | |
| SCHEMBL479986 | 0.91 | PRKAB2 (0.37) | PDE2AAKR1C2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL480185 | 0.90 | PDK2 (0.40) | PDK2PDE2ANOTUM | |
| SCHEMBL480166 | 0.85 | BDKRB1 (0.36) | PDK2PDE2A | |
| SCHEMBL480086 | 0.85 | CHEK1 (0.37) | PDK2PDE2ASMN1; SMN2PRKAB2PRKAG1 | |
| SCHEMBL480084 | 0.83 | S1PR2 (0.33) | — | |
| SCHEMBL479995 | 0.81 | PDK2 (0.36) | PDK2XDHRXRARXRBPDE2A | |
| SCHEMBL753062 | 0.81 | PDK2 (0.36) | PDK2XDHRXRARXRBPDE2A | |
| SCHEMBL15789678 | 0.81 | MCL1 (0.35) | RXRARXRBPDE2ATSHR | |
| SCHEMBL480092 | 0.81 | PDE2A (0.34) | PDK2PDE2A |
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 |