Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960001 | 0.97 | CYP3A4 (0.32) | CYP3A4CYP2C9FASN | |
| SCHEMBL8934062 | 0.93 | CYP3A4 (0.32) | CYP3A4CYP2C9FASNAPPGAA | |
| SCHEMBL8933863 | 0.92 | CYP3A4 (0.33) | CYP3A4CYP2C9FASNAPPGAA | |
| SCHEMBL19985447 | 0.92 | MAPT (0.34) | CYP2C9GAAMAPT | |
| SCHEMBL19985453 | 0.92 | MAPT (0.34) | CYP2C9GAAMAPT | |
| SCHEMBL8960099 | 0.91 | CYP3A4 (0.31) | CYP3A4CYP2C9FASN | |
| SCHEMBL8933757 | 0.91 | CYP3A4 (0.32) | CYP3A4CYP2C9FASNAPPRARB | |
| SCHEMBL19985434 | 0.90 | CYP2C9 (0.34) | CYP2C9GAAMAPT | |
| SCHEMBL8959793 | 0.90 | CYP3A4 (0.32) | CYP3A4CYP2C9FASN | |
| SCHEMBL8933827 | 0.89 | CYP3A4 (0.33) | CYP3A4CYP2C9FASNAPPGAA |
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-2206695-B1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2013-09-18 | — | — | EP | disclosed |
| 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 |