Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TLR4 | O00206 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8037685 | 0.93 | TSHR (0.35) | TSHR | |
| SCHEMBL8049177 | 0.92 | TSHR (0.34) | TSHR | |
| SCHEMBL8037716 | 0.91 | TLR4 (0.36) | CYP2C9TLR4 | |
| SCHEMBL8049846 | 0.90 | TLR4 (0.36) | TLR4 | |
| SCHEMBL8049101 | 0.89 | THRB (0.34) | S1PR3 | |
| SCHEMBL9649531 | 0.87 | TLR4 (0.33) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8015863 | 0.87 | CYP1A2 (0.33) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9649549 | 0.87 | TLR4 (0.33) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8052272 | 0.86 | TLR4 (0.32) | TLR4 | |
| SCHEMBL8052275 | 0.86 | TLR4 (0.32) | TLR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728829-B1 | Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element | CHISSO CORP (JP) | 2000-05-03 | — | — | EP | disclosed |
| US-5698136-A | LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY | CHISSO CORPORATION (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0728829-A2 | Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element | CHISSO CORPORATION (JP) | 1996-08-28 | — | — | EP | disclosed |