Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 12/20 | 0.74 |
| ▸ | PDK2 | Q15119 | 12/20 | 0.74 |
| ▸ | PDK3 | Q15120 | 12/20 | 0.74 |
| ▸ | PDK4 | Q16654 | 12/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | ABCC9 | O60706 | 4/20 | 0.71 |
| ▸ | ABCC8 | Q09428 | 4/20 | 0.71 |
| ▸ | KCNJ11 | Q14654 | 4/20 | 0.71 |
| ▸ | KCNJ8 | Q15842 | 4/20 | 0.71 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.68 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608406 | 1.00 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609853 | 1.00 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568185 | 0.92 | ABCB11 (0.69) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6568189 | 0.92 | ABCB11 (0.69) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569131 | 0.91 | ABCB11 (0.71) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6569135 | 0.91 | ABCB11 (0.71) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6348885 | 0.91 | PDK1 (0.78) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6348880 | 0.91 | PDK1 (0.78) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL5549878 | 0.91 | ABCC9 (0.67) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6571208 | 0.91 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 |
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 4 patents. 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 |
| US-6369273-B1 | ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE | ASTRAZENECA AB (SE) | 2002-04-09 | — | — | US | disclosed |
| EP-1059927-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044618-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 1999-09-10 | — | — | WO | disclosed |