Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8217728 | 1.00 | OPRL1 (0.35) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL8217715 | 0.89 | CYP2C9 (0.40) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL8217759 | 0.89 | CYP2C9 (0.40) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL8218456 | 0.88 | CYP3A4 (0.39) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL7902496 | 0.88 | CYP2C9 (0.41) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL7902498 | 0.88 | CYP2C9 (0.41) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL8218502 | 0.87 | OPRL1 (0.40) | OPRL1DGAT1FFAR4 | |
| SCHEMBL7912954 | 0.86 | CYP3A4 (0.38) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL7912958 | 0.86 | CYP3A4 (0.38) | OPRL1CYP3A4CYP2C9ESR2APP | |
| SCHEMBL8215975 | 0.85 | OPRL1 (0.38) | OPRL1CYP3A4CYP2C9APPDGAT1 |
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 |