Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 12/20 | 0.62 |
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14048316 | 0.94 | ESR2 (0.56) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL742590 | 0.89 | ESR2 (0.52) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL11196166 | 0.82 | ESR2 (0.77) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL21558693 | 0.81 | ESR2 (0.46) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL13368345 | 0.81 | ESR2 (0.52) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8993390 | 0.81 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9284476 | 0.81 | ESR2 (0.50) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL9284474 | 0.81 | ESR2 (0.50) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL16576984 | 0.80 | ESR2 (0.69) | ESR2ESR1CYP2C9CYP3A4SPHK1 | |
| SCHEMBL14473176 | 0.80 | ESR2 (0.57) | ESR2ESR1CYP2C9CYP3A4SPHK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3156388-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2017-04-19 | — | — | EP | disclosed |
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |