Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.36 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.36 |
| ▸ | GRK6 | P43250 | 1/20 | 0.36 |
| ▸ | FGR | P09769 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | FGB | P02675 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861961 | 0.84 | KCNQ2 (0.40) | SMN1; SMN2PDK2KCNQ2 | |
| SCHEMBL9861915 | 0.78 | MEN1 (0.36) | MAOADYRK1AMEN1KMT2AALDH1A1 | |
| SCHEMBL9861411 | 0.77 | S100A4 (0.36) | SMN1; SMN2PDK2KCNQ2 | |
| SCHEMBL9861333 | 0.77 | KCNQ2 (0.42) | SMN1; SMN2PDK2KCNQ2 | |
| SCHEMBL9861501 | 0.73 | PDK2 (0.54) | ADORA2AMAOACSNK1A1CSNK1DCSNK1G1 | |
| SCHEMBL9861632 | 0.70 | S100A4 (0.38) | PDK2 | |
| SCHEMBL9861457 | 0.67 | PDK2 (0.39) | ADORA2AMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9861348 | 0.60 | PDK2 (0.35) | SMN1; SMN2NPSR1PDK2KCNQ2 | |
| SCHEMBL9861639 | 0.59 | PDK2 (0.33) | MAOAPDK2MAOB | |
| SCHEMBL29361319 | 0.58 | ADORA2A (1.00) | ADORA2AMAOACSNK1A1CSNK1DCSNK1G1 |
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 |