Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL8727785 | 1.00 | ESR2 (0.31) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8727789 | 1.00 | ESR2 (0.31) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8730685 | 0.96 | NPC1 (0.30) | — | |
| SCHEMBL8730666 | 0.96 | NPC1 (0.30) | — | |
| SCHEMBL8730676 | 0.96 | NPC1 (0.30) | — | |
| SCHEMBL8730485 | 0.91 | NPC1 (0.32) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8730670 | 0.91 | NPC1 (0.32) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8730663 | 0.91 | NPC1 (0.32) | ESR2ESR1CYP3A4CYP2C9HDAC2 | |
| SCHEMBL8730726 | 0.89 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8730734 | 0.89 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |