Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 11/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 11/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 11/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 11/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571253 | 1.00 | PDK1 (0.41) | PDK1PDK2PDK3PDK4NR1H2 | |
| SCHEMBL6568763 | 0.90 | HTT (0.42) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6568770 | 0.90 | HTT (0.42) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6348658 | 0.88 | PDK1 (0.41) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6348654 | 0.88 | PDK1 (0.41) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6358529 | 0.86 | ALDH1A1 (0.48) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6358525 | 0.86 | ALDH1A1 (0.48) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6351405 | 0.86 | PDK1 (0.44) | PDK1PDK2PDK3PDK4CA1 | |
| SCHEMBL6351400 | 0.86 | PDK1 (0.44) | PDK1PDK2PDK3PDK4CA1 | |
| SCHEMBL6568932 | 0.85 | PDK1 (0.58) | PDK1PDK2PDK3PDK4NR1H2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082110-B1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2004-03-24 | — | — | EP | disclosed |