Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 10/20 | 0.67 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30277839 | 0.89 | NR1H2 (0.66) | NR1H2NR1H3PTPN1 | |
| SCHEMBL3493225 | 0.89 | NR1H2 (0.66) | NR1H2NR1H3PTPN1 | |
| SCHEMBL2358475 | 0.89 | NR1H2 (0.67) | NR1H2NR1H3TOP1CYP1A2CYP3A4 | |
| SCHEMBL3490943 | 0.80 | NR1H2 (1.00) | NR1H2NR1H3CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2318560 | 0.80 | NR1H2 (0.66) | NR1H2NR1H3 | |
| SCHEMBL3492028 | 0.77 | NR1H2 (0.83) | NR1H2NR1H3 | |
| SCHEMBL2359274 | 0.77 | NR1H2 (0.51) | NR1H2NR1H3ALOX5APFEN1PTPN1 | |
| SCHEMBL2323523 | 0.75 | NR1H2 (0.62) | NR1H2NR1H3TOP1 | |
| SCHEMBL2317818 | 0.75 | NR1H2 (0.61) | NR1H2NR1H3TOP1CYP1A2DHODH | |
| SCHEMBL3492016 | 0.73 | NR1H2 (1.00) | NR1H2NR1H3 |
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-2352725-A1 | QUINOXALINE-BASED LXR MODULATORS | Wyeth LLC (US) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010054229-A1 | QUINOXALINE-BASED LXR MODULATORS | WYETH LLC (US) | 2010-05-14 | — | — | WO | disclosed |