Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.65 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861430 | 0.89 | ESR1 (0.61) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL20958252 | 0.85 | ESR1 (0.65) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL178283 | 0.85 | ESR1 (0.69) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL28738556 | 0.80 | ESR1 (0.57) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL122862 | 0.79 | ESR1 (0.71) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL1229448 | 0.79 | ESR1 (0.71) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL8062965 | 0.79 | ESR1 (0.71) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL29395018 | 0.79 | ESR1 (0.71) | ESR1ESR2KLF10BACE1CYP2D6 | |
| SCHEMBL9861336 | 0.79 | GABRA1 (0.46) | ESR1ESR2ARGABRA1GABRB2 | |
| SCHEMBL30234175 | 0.79 | ESR1 (0.71) | ESR1ESR2KLF10BACE1CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |
| US-4845258-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-07-04 | — | — | US | disclosed |
| US-4804774-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804773-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |