Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861498 | 0.77 | TLR9 (0.30) | TLR9 | |
| SCHEMBL9314843 | 0.76 | TP53 (0.31) | — | |
| SCHEMBL5158826 | 0.63 | PRSS1 (0.39) | CES1NR1H2NR1H3EPHX2PPARG | |
| SCHEMBL9866149 | 0.61 | TLR9 (0.49) | TLR9 | |
| SCHEMBL79015 | 0.61 | TSHR (0.43) | — | |
| SCHEMBL27959423 | 0.58 | NR1H2 (0.37) | CES1NR1H2NR1H3PPARGPPARA | |
| SCHEMBL476083 | 0.58 | ALDH1A1 (0.52) | CES1PPARGPPARA | |
| SCHEMBL476081 | 0.58 | PLA2G10 (0.41) | CES1 | |
| SCHEMBL12971195 | 0.57 | TSHR (0.40) | — | |
| SCHEMBL9314711 | 0.57 | NR1H2 (0.44) | CES1NR1H2NR1H3EPHX2 |
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 5 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 |
| 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 |