Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.70 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.70 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.70 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.70 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | DDX3X | O00571 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL397003 | 0.86 | PDK1 (0.67) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL26623837 | 0.83 | PDK1 (0.73) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL8347800 | 0.83 | PDK1 (0.63) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL11173223 | 0.81 | PDK1 (0.61) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL11245698 | 0.81 | PDK1 (0.61) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL28121437 | 0.81 | RAB9A (0.62) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL914296 | 0.81 | PDK1 (0.70) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL6824411 | 0.80 | PDK1 (0.59) | PDK1PDK2PDK3PDK4NPC1 | |
| Hydrochloric Acid SCHEMBL28203570 | 0.79 | PDK1 (0.68) | PDK1PDK2PDK3PDK4NPC1 | |
| SCHEMBL28846032 | 0.79 | PDK1 (0.67) | PDK1PDK2PDK3PDK4NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960688-B2 | Use of compounds for the elevation of pyruvate dehydrogenase activity | ASTRAZENECA AB (SE) | 2005-11-01 | — | — | US | disclosed |
| US-20040009979-A1 | Use of compounds for the elevation of pyruvate dehydrogenase activity | ZENECA LIMITED | 2004-01-15 | — | — | US | disclosed |
| US-6498275-B1 | Use of compounds for the elevation of pyruvate dehydrogenase activity | ASTRAZENECA AB (SE) | 2002-12-24 | — | — | US | disclosed |
| EP-1082110-A1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062506-A1 | USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 1999-12-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040009979-A1 | Use of compounds for the elevation of pyruvate dehydrogenase activity | PDHA1, PDK1, PDHB | PDK1 2/4885PDK2 8/4885PDK3 7/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.