Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.46 |
| ▸ | RXRA | P19793 | 6/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3471854 | 0.84 | NR1H2 (0.52) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3473037 | 0.73 | NR1H2 (0.56) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3474034 | 0.72 | NR1H2 (0.49) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3473925 | 0.72 | RXRA (0.62) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3470793 | 0.70 | NR1H2 (0.47) | NR1H2NR1H3RXRAPIK3CAPTGS2 | |
| SCHEMBL3473280 | 0.70 | NR1H2 (0.49) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3474109 | 0.70 | NR1H2 (0.50) | NR1H2NR1H3RXRAPIK3CALOXL2 | |
| SCHEMBL3470819 | 0.69 | NR1H2 (0.74) | NR1H2NR1H3RXRAPIK3CAHSD17B1 | |
| SCHEMBL3475646 | 0.69 | NR1H2 (0.56) | NR1H2NR1H3RXRAPTGS2LOXL2 | |
| SCHEMBL3472596 | 0.67 | RXRA (0.66) | NR1H2NR1H3RXRAPIK3CAHSD17B1 |
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-1910307-A1 | PYRAZOLE BASED LXR MODULATORS | Exelixis, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007002559-A1 | PYRAZOLE BASED LXR MODULATORS | EXELIXIS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |