Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 9/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 9/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 3/20 | 0.39 |
| ▸ | RORA | P35398 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 2/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3387925 | 0.77 | PDK2 (0.48) | PDK2NR1H2NR1H3RORCRORA | |
| SCHEMBL4946960 | 0.75 | CYP2A6 (0.64) | PDK2CYP2E1CYP2A6CYP2B6PTPRC | |
| SCHEMBL28753042 | 0.75 | PDK2 (0.47) | PDK2NR1H2NR1H3RORCRORA | |
| SCHEMBL28507379 | 0.73 | NR1H2 (0.50) | PDK2NR1H2NR1H3RORCRORA | |
| SCHEMBL28930463 | 0.73 | ALDH1A1 (0.50) | NR1H2NR1H3RORCRORAMLYCD | |
| SCHEMBL3385529 | 0.73 | ALDH1A1 (0.50) | PDK2NR1H2NR1H3RORCRORA | |
| SCHEMBL7058734 | 0.73 | CYP2A6 (0.70) | PDK2CYP2E1CYP2A6CYP2B6PTPRC | |
| SCHEMBL12759665 | 0.73 | NR1H2 (0.43) | NR1H2NR1H3RORCRORAMLYCD | |
| SCHEMBL27870289 | 0.72 | CYP2A6 (0.67) | PDK2CYP2E1CYP2A6CYP2B6PTPRC | |
| SCHEMBL19149374 | 0.72 | NR1H3 (0.60) | NR1H2NR1H3MLYCD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010023317-A1 | NOVEL HEXAFLUORO-2-BIPHENYLISOPROPANOL COMPOUNDS THAT MODULATE LXR-TYPE RECEPTORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS IN HUMAN AND VETERINARY MEDICINE AND ALSO IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2010-03-04 | — | — | WO | disclosed |