Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL237505 | 0.86 | ESR1 (0.64) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL29672349 | 0.86 | ESR1 (0.64) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL22050634 | 0.84 | ALDH1A1 (0.52) | ESR1ESR2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10839864 | 0.84 | ESR1 (0.41) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL10687496 | 0.83 | ESR1 (0.54) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL5887915 | 0.81 | ESR1 (0.75) | ESR1ESR2CYP3A4CYP2B6ALDH1A1 | |
| SCHEMBL5439366 | 0.80 | ALDH1A1 (0.53) | ESR1ESR2CYP2A6CYP1A2PTPN1 | |
| SCHEMBL17725544 | 0.80 | MEN1 (0.45) | ESR1ESR2CYP1A2ALDH1A1 | |
| SCHEMBL599567 | 0.79 | PTPN1 (0.48) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL30222062 | 0.79 | PTPN1 (0.48) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4622380-A | Alkylidene bromo-substituted arylene acetal and/or ketal polymers | PPG INDUSTRIES, INC. (US) | 1986-11-11 | — | — | US | disclosed |
| US-4489189-A | FROM TETRABROMOBISPHENOL A AND ETHYLENE GLYCOL | PPG INDUSTRIES, INC. (US) | 1984-12-18 | — | — | US | disclosed |