Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 19/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.43 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.43 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6917185 | 0.76 | IDO1 (0.52) | PDK2IDO1MAOAMAOBCDC25B | |
| SCHEMBL9861969 | 0.70 | PDK2 (0.46) | PDK2 | |
| SCHEMBL13508801 | 0.69 | CDC25B (0.43) | IDO1MAOAMAOBCDC25BAKT1 | |
| SCHEMBL30229349 | 0.68 | IDO1 (0.46) | PDK2IDO1MAOAMAOBCDC25B | |
| SCHEMBL9861622 | 0.68 | PDK2 (0.76) | PDK2 | |
| Naphthoquinone SCHEMBL28997832 | 0.66 | IDO1 (0.70) | PDK2IDO1MAOAMAOBCDC25B | |
| SCHEMBL15463143 | 0.66 | PDK2 (1.00) | PDK2 | |
| SCHEMBL9861348 | 0.66 | PDK2 (0.35) | PDK2 | |
| Naphthoquinone SCHEMBL28297132 | 0.66 | CDC25B (0.78) | IDO1MAOAMAOBCDC25BAKT1 | |
| SCHEMBL10554281 | 0.66 | PDK2 (0.53) | 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 3 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 |