Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 11/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861333 | 0.77 | KCNQ2 (0.42) | PDK2 | |
| SCHEMBL9861632 | 0.71 | S100A4 (0.38) | PDK2 | |
| SCHEMBL15203038 | 0.67 | PDK2 (0.38) | PDK2 | |
| SCHEMBL9861961 | 0.66 | KCNQ2 (0.40) | PDK2 | |
| SCHEMBL9861411 | 0.64 | S100A4 (0.36) | PDK2 | |
| SCHEMBL30805706 | 0.64 | HTR2A (0.55) | MAOAMAOB | |
| SCHEMBL11587681 | 0.64 | MAOA (0.43) | PDK2MAOAMAOB | |
| SCHEMBL16277258 | 0.63 | PDK2 (0.35) | PDK2 | |
| SCHEMBL18545746 | 0.62 | MAOA (0.41) | MAOAMAOB | |
| SCHEMBL9861348 | 0.61 | PDK2 (0.35) | PDK2 |
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 6 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-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 |