Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19829685 | 0.91 | CYP3A4 (0.31) | CYP3A4CYP2C9APP | |
| SCHEMBL17355538 | 0.90 | CYP2C9 (0.37) | CYP3A4CYP2C9APP | |
| SCHEMBL17355569 | 0.89 | CYP2C9 (0.32) | CYP3A4CYP2C9APP | |
| SCHEMBL17355568 | 0.88 | CYP2C9 (0.31) | CYP3A4CYP2C9APP | |
| SCHEMBL19829683 | 0.85 | DGAT1 (0.34) | CYP3A4CYP2C9 | |
| SCHEMBL19829673 | 0.84 | OPRL1 (0.33) | — | |
| SCHEMBL17355526 | 0.84 | CYP3A4 (0.30) | CYP3A4CYP2C9APP | |
| SCHEMBL17377926 | 0.84 | CYP3A4 (0.34) | CYP3A4CYP2C9APP | |
| SCHEMBL17369475 | 0.84 | CYP2C9 (0.35) | CYP3A4CYP2C9APP | |
| SCHEMBL17355528 | 0.84 | ESR2 (0.30) | — |
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-20180030347-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |