Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | PDK1 | Q15118 | 18/20 | 0.67 |
| ▸ | PDK2 | Q15119 | 18/20 | 0.67 |
| ▸ | PDK3 | Q15120 | 18/20 | 0.67 |
| ▸ | PDK4 | Q16654 | 18/20 | 0.67 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.55 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.55 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.55 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571028 | 1.00 | ABCB11 (0.68) | ABCB11PDK1PDK2PDK3PDK4 | |
| Dimethylamine SCHEMBL6568696 | 0.98 | ABCB11 (0.66) | ABCB11PDK1PDK2PDK3PDK4 | |
| Diethylamine SCHEMBL6568780 | 0.96 | ABCB11 (0.64) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6348971 | 0.90 | ABCB11 (0.72) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6348974 | 0.90 | ABCB11 (0.72) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568901 | 0.88 | ABCC9 (0.53) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568908 | 0.88 | ABCC9 (0.53) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6348449 | 0.88 | PDK1 (0.70) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6348452 | 0.88 | PDK1 (0.70) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6568070 | 0.88 | ABCB11 (0.64) | 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 2 patents. 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 |
| CN-1303281-A | Application of compound in enhancing activity of pyruvate dehydrogenase | ASTRA ZENECA LTD (SE) | 2001-07-11 | — | — | CN | disclosed |