Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 11/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 11/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 11/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 11/20 | 0.52 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.48 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.48 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.48 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4609149 | 0.89 | ABCB11 (0.55) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4608658 | 0.86 | ABCB11 (0.58) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6570069 | 0.86 | PDK1 (0.60) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571101 | 0.85 | PDK1 (0.56) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4608406 | 0.82 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4609853 | 0.82 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4609857 | 0.82 | PDK1 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL4609323 | 0.81 | PDK1 (0.55) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL8867516 | 0.80 | ABCC9 (0.64) | ABCC9ABCC8KCNJ11KCNJ8LMNA | |
| SCHEMBL6347588 | 0.79 | PDK1 (0.50) | ABCB11PDK1PDK2PDK3PDK4 |
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 |