Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL8933424 | 0.99 | RARB (0.36) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8958727 | 0.97 | CYP3A4 (0.34) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8959119 | 0.96 | RARB (0.35) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8933000 | 0.96 | CYP3A4 (0.35) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8932985 | 0.96 | RARB (0.37) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL18779813 | 0.95 | CYP2C9 (0.37) | CYP3A4CYP2C9RARBAPPGAA | |
| SCHEMBL8933172 | 0.95 | RARB (0.39) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8933020 | 0.95 | RARB (0.39) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8933021 | 0.95 | RARB (0.39) | CYP3A4CYP2C9RARBFASNAPP | |
| SCHEMBL8933255 | 0.95 | RARB (0.39) | CYP3A4CYP2C9RARBFASNAPP |
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 |