Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7730764 | 0.99 | S1PR1 (0.38) | S1PR1S1PR3PSEN1CETPFFAR1 | |
| SCHEMBL7732575 | 0.97 | S1PR1 (0.35) | S1PR1S1PR3PSEN1CETPFFAR1 | |
| SCHEMBL7735808 | 0.95 | S1PR1 (0.40) | S1PR1S1PR3PSEN1CETPFFAR1 | |
| SCHEMBL7730786 | 0.95 | HTR2A (0.35) | S1PR1S1PR3PSEN1CETPFFAR1 | |
| SCHEMBL7722503 | 0.93 | RARB (0.39) | S1PR1S1PR3PSEN1CETPALOX5 | |
| SCHEMBL7729274 | 0.93 | FFAR1 (0.36) | S1PR1S1PR3CETPFFAR1CYP2C9 | |
| SCHEMBL7733331 | 0.92 | S1PR1 (0.38) | S1PR1S1PR3PSEN1PPARGCACNA1H | |
| SCHEMBL7732920 | 0.92 | FFAR1 (0.36) | CETPFFAR1CYP2C9KCNH2CACNA1C | |
| SCHEMBL7729545 | 0.90 | RARB (0.43) | S1PR1S1PR3CACNA1H | |
| SCHEMBL7730361 | 0.88 | CETP (0.36) | S1PR1S1PR3PSEN1CETPALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |