Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 9/20 | 0.60 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.60 |
| ▸ | PDK3 | Q15120 | 9/20 | 0.60 |
| ▸ | PDK4 | Q16654 | 9/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ABCC9 | O60706 | 4/20 | 0.54 |
| ▸ | ABCC8 | Q09428 | 4/20 | 0.54 |
| ▸ | KCNJ11 | Q14654 | 4/20 | 0.54 |
| ▸ | KCNJ8 | Q15842 | 4/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571101 | 0.91 | PDK1 (0.56) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609853 | 0.88 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609857 | 0.88 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609149 | 0.88 | ABCB11 (0.55) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4608406 | 0.88 | PDK1 (0.74) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609323 | 0.87 | PDK1 (0.55) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6572441 | 0.86 | MAPT (0.63) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6449596 | 0.86 | ABCB11 (0.59) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL4609528 | 0.86 | ABCB11 (0.53) | PDK1PDK2PDK3PDK4ABCB11 | |
| SCHEMBL6350182 | 0.85 | ABCB11 (0.58) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101417964-A | Use of compounds for the elevation of pyruvate dehydrogenase activity | ASTRAZENECA AB (SE) | 2009-04-29 | — | — | CN | disclosed |
| 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 |