Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217898 | 0.83 | ESR2 (0.43) | FFAR1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL11217896 | 0.83 | ESR2 (0.43) | FFAR1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9309208 | 0.82 | FFAR1 (0.39) | FFAR1ACACBESR2ESR1CYP3A4 | |
| SCHEMBL9309207 | 0.82 | FFAR1 (0.39) | FFAR1ACACBESR2ESR1CYP3A4 | |
| SCHEMBL9308477 | 0.78 | TP53 (0.38) | FFAR1ACACBESR2ESR1CYP3A4 | |
| SCHEMBL9308485 | 0.78 | TP53 (0.38) | FFAR1ACACBESR2ESR1CYP3A4 | |
| SCHEMBL8727656 | 0.78 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9DGAT1 | |
| SCHEMBL8727648 | 0.78 | ESR2 (0.36) | ESR2ESR1CYP3A4CYP2C9DGAT1 | |
| SCHEMBL11210601 | 0.78 | ESR2 (0.47) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL11210597 | 0.78 | ESR2 (0.47) | 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 |