Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KIF11 | P52732 | 9/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101111 | 0.85 | ESR1 (0.53) | ESR1ESR2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL10935943 | 0.78 | ESR1 (0.54) | ESR1ESR2CYP3A4ALDH1A1CACNA1B | |
| SCHEMBL9972713 | 0.78 | ESR1 (0.46) | ESR1ESR2CYP3A4ALDH1A1KIF11 | |
| SCHEMBL7972245 | 0.78 | ESR1 (0.54) | ESR1ESR2CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL30899192 | 0.77 | ESR2 (0.74) | ESR1ESR2CYP3A4ALDH1A1HPGD | |
| SCHEMBL7411903 | 0.76 | CACNA1B (0.60) | ESR1ESR2CYP3A4ALDH1A1KIF11 | |
| SCHEMBL3691307 | 0.74 | PTGS1 (0.46) | ESR1ESR2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL5086131 | 0.74 | ESR1 (0.69) | ESR1ESR2CYP3A4ALDH1A1HPGD | |
| SCHEMBL5995899 | 0.74 | ESR1 (0.52) | ESR1ESR2CYP3A4ALDH1A1HPGD | |
| SCHEMBL5873699 | 0.74 | ESR1 (0.57) | ESR1ESR2 |
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-3018165-B1 | POLYORGANOSILOXANE COMPOUND, METHOD FOR PREPARING SAME, AND COPOLYCARBONATE RESIN COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-06-12 | — | — | EP | disclosed |