Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20958248 | 0.83 | GABRA1 (0.46) | GABRA1GABRB2ESR1ESR2PTPN5 | |
| SCHEMBL9861458 | 0.83 | GABRA1 (0.50) | GABRA1GABRB2ESR1ESR2PTPN5 | |
| SCHEMBL5958758 | 0.79 | HTT (0.42) | ESR1ESR2HTTPGRAR | |
| SCHEMBL9861532 | 0.79 | ESR1 (0.65) | GABRA1GABRB2ESR1ESR2AR | |
| SCHEMBL10051863 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2ESR1ESR2PTPN5 | |
| SCHEMBL13609095 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2ESR1ESR2PTPN5 | |
| SCHEMBL948481 | 0.76 | ALOX15 (0.61) | GABRA1GABRB2ESR1ESR2ALOX15 | |
| SCHEMBL199386 | 0.76 | CYP2C19 (0.61) | GABRA1GABRB2ESR1ESR2ALOX15 | |
| SCHEMBL11181843 | 0.75 | ESR1 (0.67) | GABRA1GABRB2ESR1ESR2AR | |
| SCHEMBL19356923 | 0.75 | ESR1 (0.34) | GABRA1GABRB2ESR1ESR2 |
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 |