Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 16/20 | 0.67 |
| ▸ | PDK2 | Q15119 | 16/20 | 0.67 |
| ▸ | PDK3 | Q15120 | 16/20 | 0.67 |
| ▸ | PDK4 | Q16654 | 16/20 | 0.67 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.65 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.65 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.65 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6569716 | 1.00 | PDK1 (0.67) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6811200 | 0.86 | MAPT (0.54) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6569428 | 0.85 | TSHR (0.71) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL16603077 | 0.84 | GAA (0.56) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6351244 | 0.84 | PDK1 (0.71) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6569728 | 0.83 | ABCC9 (0.74) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6569780 | 0.82 | PDK1 (0.64) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6348339 | 0.82 | PDK1 (0.76) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6348342 | 0.82 | PDK1 (0.76) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569771 | 0.82 | PDK1 (0.64) | PDK1PDK2PDK3PDK4ABCC9 |
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 |