Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL20855484 | 0.92 | KDM4E (0.49) | RARBCYP3A4THRANCF1KDM4E | |
| SCHEMBL4059613 | 0.90 | RARB (0.53) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL4053878 | 0.85 | RARB (0.53) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL4061378 | 0.84 | NQO1 (0.57) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL4061901 | 0.83 | CHRNB2 (0.57) | RARBCYP3A4CYP2D6KDM4EL3MBTL1 | |
| SCHEMBL4064818 | 0.83 | HRH2 (0.48) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL15250523 | 0.83 | RARB (0.47) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL15250560 | 0.83 | MCHR1 (0.51) | RARBCYP3A4CYP2D6THRANCF1 | |
| SCHEMBL8772631 | 0.82 | CYP2D6 (0.63) | RARBCYP3A4CYP2D6KDM4ECYP19A1 | |
| SCHEMBL470104 | 0.82 | NQO1 (0.64) | CYP3A4CYP2D6KDM4EAPPNQO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5714088-A | TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY | CHISSO CORPORATION (JP) | 1998-02-03 | — | — | US | disclosed |
| EP-0733692-A1 | Liquid crystalline compound, liquid crystal composition containing the same, and display device | Chisso Corporation (JP) | 1996-09-25 | — | — | EP | disclosed |