Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8958633 | 0.97 | PPARD (0.34) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8932867 | 0.97 | PPARD (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8932873 | 0.96 | RARB (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8932875 | 0.96 | RARB (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8933109 | 0.96 | RARB (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8933115 | 0.96 | RARB (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8933072 | 0.95 | PPARD (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8932870 | 0.95 | FPR2 (0.37) | CYP2C9CYP3A4PDE4AALDH1A1LMNA | |
| SCHEMBL8958787 | 0.94 | PPARD (0.34) | CYP2C9PPARDCYP3A4PDE4APDE4B | |
| SCHEMBL8933198 | 0.94 | PPARD (0.35) | CYP2C9PPARDCYP3A4PDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |