Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL13000706 | 0.88 | FASN (0.41) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL9014705 | 0.86 | CYP3A4 (0.33) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13000177 | 0.83 | CYP3A4 (0.33) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL10152882 | 0.83 | CYP3A4 (0.31) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13000105 | 0.83 | CYP3A4 (0.33) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL10152260 | 0.83 | CYP2C9 (0.36) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13000783 | 0.82 | — | — | |
| SCHEMBL10163856 | 0.82 | — | — | |
| SCHEMBL9501457 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2C9APPS1PR1S1PR4 | |
| SCHEMBL12999924 | 0.81 | CYP3A4 (0.32) | CYP3A4CYP2C9APPCYP2D6CYP2C19 |
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 |