Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 17/20 | 0.60 |
| ▸ | PDK2 | Q15119 | 17/20 | 0.60 |
| ▸ | PDK3 | Q15120 | 17/20 | 0.60 |
| ▸ | PDK4 | Q16654 | 17/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.48 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.48 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.48 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475099 | 0.82 | POLB (0.65) | ALDH1A1POLBGAATHRBKDR | |
| SCHEMBL6347722 | 0.82 | PDK1 (0.73) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6348593 | 0.81 | PDK1 (0.67) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6569632 | 0.80 | PDK1 (0.62) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4610634 | 0.80 | PDK1 (0.65) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL5660190 | 0.78 | THRB (0.61) | ALDH1A1POLBGAATHRBKDR | |
| SCHEMBL6569974 | 0.77 | PDK1 (0.62) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL2539977 | 0.76 | ALDH1A1 (0.58) | ALDH1A1POLBGAATHRBKDR | |
| SCHEMBL6347970 | 0.76 | PDK1 (1.00) | PDK1PDK2PDK3PDK4ABCC9 | |
| SCHEMBL6569428 | 0.76 | TSHR (0.71) | PDK1PDK2PDK3PDK4ALDH1A1 |
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-1059927-B1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |