Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL7733244 | 1.00 | ESR2 (0.32) | ESR2ESR1CYP3A4CYP2C9IDO1 | |
| SCHEMBL9511993 | 0.86 | HTR2A (0.37) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9512007 | 0.86 | HTR2A (0.37) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL16482909 | 0.82 | ESR2 (0.33) | ESR2 | |
| SCHEMBL8517653 | 0.82 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9349604 | 0.82 | USP5 (0.35) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9250171 | 0.82 | USP5 (0.35) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9349590 | 0.82 | USP5 (0.35) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9349609 | 0.82 | USP5 (0.35) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8517655 | 0.82 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-5858270-A | Difluorooxymethane derivative and liquid crystal composition | CHISSO CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0786445-A1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1997-07-30 | — | — | EP | disclosed |