Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14766201 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14766196 | 0.97 | CYP2D6 (0.38) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14766776 | 0.97 | CYP2D6 (0.38) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14766627 | 0.96 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14765967 | 0.96 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL12737022 | 0.94 | FFAR1 (0.41) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL12740493 | 0.94 | FFAR1 (0.41) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL10302451 | 0.93 | CYP2D6 (0.34) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14767092 | 0.92 | CNR2 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL14765928 | 0.92 | CNR2 (0.40) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 |
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-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |