Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 6/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3471345 | 0.82 | PTGS2 (0.55) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3473125 | 0.81 | PTGS2 (0.53) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3472391 | 0.80 | RXRA (0.51) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3474141 | 0.79 | RXRA (0.87) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL12978741 | 0.78 | PTGS2 (0.70) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL8639120 | 0.76 | PTGS2 (0.68) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3473107 | 0.76 | PTGS2 (0.53) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3474440 | 0.75 | PTGS2 (0.64) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL12983928 | 0.74 | RXRA (0.44) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL3477572 | 0.74 | RXRA (0.54) | RXRANR1H2NR1H3PTGS2PTGS1 |
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 |