Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.34 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517361 | 1.00 | ESR2 (0.34) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8446866 | 0.87 | — | — | |
| SCHEMBL8517653 | 0.83 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8517655 | 0.83 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8446823 | 0.83 | — | — | |
| SCHEMBL8451071 | 0.83 | GRM2 (0.31) | — | |
| SCHEMBL8450776 | 0.83 | ESR2 (0.32) | ESR2 | |
| SCHEMBL29004660 | 0.81 | GRM2 (0.34) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9511993 | 0.81 | HTR2A (0.37) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9512007 | 0.81 | HTR2A (0.37) | 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-0893424-A1 | ALPHA,ALPHA-DIFLUOROBENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES | CHISSO CORPORATION (JP) | 1999-01-27 | — | — | EP | disclosed |