Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL7735108 | 0.97 | CETP (0.35) | PPARAPPARGCETPS1PR1BACE1 | |
| SCHEMBL7722822 | 0.94 | HTR2A (0.35) | HTR2AFAAHRARBTHRBRARA | |
| SCHEMBL7730452 | 0.92 | HTR2A (0.36) | HTR2AFAAHRARBTHRBRARA | |
| SCHEMBL7735193 | 0.92 | CETP (0.33) | PPARAPPARGCETP | |
| SCHEMBL7731179 | 0.91 | RARB (0.41) | HTR2AFAAHRARBRARARARG | |
| SCHEMBL7730115 | 0.91 | THRB (0.36) | HTR2AFAAHRARBTHRBRARA | |
| SCHEMBL7730361 | 0.91 | CETP (0.36) | HTR2AFAAHPPARAPPARGCETP | |
| SCHEMBL7722893 | 0.90 | BACE1 (0.31) | PPARAPPARGBACE1 | |
| SCHEMBL7729451 | 0.90 | FFAR4 (0.34) | — | |
| SCHEMBL7731573 | 0.89 | S1PR1 (0.34) | HTR2AFAAHRARBTHRBRARA |
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 |