Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 10/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8730468 | 1.00 | ESR2 (0.38) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8727817 | 0.96 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8730936 | 0.96 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8730927 | 0.96 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8731530 | 0.96 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8730916 | 0.96 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8731529 | 0.96 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8731528 | 0.96 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8731272 | 0.93 | ESR2 (0.38) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8731274 | 0.93 | ESR2 (0.38) | ESR2ESR1CYP3A4CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57099542-A | — | — | None | — | — | JP | disclosed |
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |
| JP-S5799542-A | 4-(TRANS-4'-ALKYLCYCLOHEXYL)BENZYL ALKYL ETHER | CHISSO CORP | 1982-06-21 | — | — | JP | disclosed |