Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215078 | 0.97 | RARB (0.43) | RARBS1PR1S1PR3GPR84KDM1A | |
| SCHEMBL8217592 | 0.93 | RARB (0.38) | RARBS1PR1S1PR3GPR84KDM1A | |
| SCHEMBL8215846 | 0.93 | RARB (0.38) | RARBS1PR1S1PR3GPR84KDM1A | |
| SCHEMBL8220268 | 0.90 | RARB (0.38) | RARBFFAR4CYP3A4CYP2C9 | |
| SCHEMBL8208612 | 0.87 | RARB (0.40) | RARBS1PR1S1PR3FFAR4CYP3A4 | |
| SCHEMBL21321646 | 0.87 | RARB (0.45) | RARBS1PR1S1PR3KDM1AHRH3 | |
| SCHEMBL8215785 | 0.86 | RARB (0.39) | RARBS1PR1S1PR3GPR84KDM1A | |
| SCHEMBL8218450 | 0.86 | CYP2C9 (0.39) | RARBKDM1AFFAR4CYP3A4CYP2D6 | |
| SCHEMBL8215738 | 0.86 | CYP2C9 (0.39) | RARBKDM1AFFAR4CYP3A4CYP2D6 | |
| SCHEMBL8216702 | 0.86 | OPRL1 (0.35) | RARBKDM1AFFAR4 |
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-6117361-A | FOUR RING COMPOUND HAVING AN ALKYL GROUP SUBSTITUTED WITH ONE OR MORE ETHERS, AND A HALOGEN ATOM SUBSTITUTED BENZENE RING; BROAD TEMPERATURE RANGE OF NEMATIC PHASE, HIGHER MISCIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS, AND CHEMICAL STABILITY | CHISSO CORP. (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0891961-A1 | LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED 1,4-PHENYLENE SKELETONS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES | CHISSO CORPORATION (JP) | 1999-01-20 | — | — | EP | disclosed |