Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 15/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862067 | 0.86 | NPSR1 (0.38) | PDK2LMNAPKMNPSR1 | |
| SCHEMBL9861333 | 0.72 | KCNQ2 (0.42) | PDK2KCNQ2SMN1; SMN2 | |
| SCHEMBL9861632 | 0.70 | S100A4 (0.38) | PDK2 | |
| SCHEMBL9861282 | 0.69 | PDK2 (0.34) | PDK2KCNQ2 | |
| SCHEMBL9861961 | 0.68 | KCNQ2 (0.40) | PDK2KCNQ2SMN1; SMN2 | |
| SCHEMBL9861418 | 0.66 | PDK2 (0.48) | PDK2 | |
| SCHEMBL9861411 | 0.66 | S100A4 (0.36) | PDK2KCNQ2SMN1; SMN2 | |
| SCHEMBL9314843 | 0.63 | TP53 (0.31) | — | |
| SCHEMBL30229349 | 0.63 | IDO1 (0.46) | PDK2LMNAPKMNPSR1 | |
| SCHEMBL3673372 | 0.62 | CDC25B (0.41) | LMNAPKMNPSR1SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | claimed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | claimed |
| 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 |