Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| SCHEMBL9016958 | 0.87 | CYP3A4 (0.33) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8944118 | 0.87 | CYP3A4 (0.32) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL10163856 | 0.87 | — | — | |
| SCHEMBL15255988 | 0.85 | ESR1 (0.32) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL9016810 | 0.85 | ALOX5 (0.38) | ESR1ESR2 | |
| SCHEMBL8944263 | 0.84 | FASN (0.34) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8944321 | 0.84 | FPR2 (0.36) | CYP3A4CYP2C9APP | |
| SCHEMBL15255967 | 0.84 | ALOX5AP (0.32) | ESR1ESR2 | |
| SCHEMBL9016929 | 0.84 | HSD17B1 (0.31) | CYP3A4 | |
| SCHEMBL12999948 | 0.84 | FPR2 (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-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 |