Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 6/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993062 | 0.93 | ESR1 (0.41) | ESR1ESR2APPCYP2C19CYP2C9 | |
| SCHEMBL19993178 | 0.91 | ESR1 (0.38) | ESR1ESR2APPCYP2C19CYP2C9 | |
| SCHEMBL257632 | 0.89 | APP (0.41) | ESR1ESR2APPCYP2C19CYP2C9 | |
| SCHEMBL16104369 | 0.84 | LMNA (0.46) | ESR1CYP2C19CYP2C9ALOX5APFEN1 | |
| SCHEMBL19493701 | 0.84 | PTGS1 (0.42) | ESR1CYP2C19CYP2C9ALOX5APFEN1 | |
| SCHEMBL23240031 | 0.82 | FEN1 (0.44) | ESR1APPCYP2C19CYP2C9CYP3A4 | |
| SCHEMBL23240106 | 0.82 | PTPRC (0.47) | ALOX5APFEN1PTPRCPTPN1ALDH1A1 | |
| SCHEMBL20083450 | 0.81 | ESR1 (0.35) | ESR1ESR2APPCYP2C19CYP2C9 | |
| SCHEMBL12445903 | 0.80 | PDE3B (0.39) | ESR1ESR2ALOX5APFEN1MEN1 | |
| SCHEMBL23240080 | 0.79 | MEN1 (0.40) | ESR1ALOX5APFEN1MEN1PTGS1 |
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-2883937-B1 | LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2018-03-21 | — | — | EP | disclosed |