Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.76 |
| ▸ | PDK1 | Q15118 | 11/20 | 0.70 |
| ▸ | PDK2 | Q15119 | 11/20 | 0.70 |
| ▸ | PDK3 | Q15120 | 11/20 | 0.70 |
| ▸ | PDK4 | Q16654 | 11/20 | 0.70 |
| ▸ | ABCC9 | O60706 | 7/20 | 0.64 |
| ▸ | ABCC8 | Q09428 | 7/20 | 0.64 |
| ▸ | KCNJ11 | Q14654 | 7/20 | 0.64 |
| ▸ | KCNJ8 | Q15842 | 7/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL6350096 | 1.00 | ABCB11 (0.76) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571168 | 0.91 | ABCB11 (0.76) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571176 | 0.91 | ABCB11 (0.76) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571094 | 0.90 | ABCB11 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6571088 | 0.90 | ABCB11 (0.74) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL5737112 | 0.89 | PDK1 (0.67) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569536 | 0.89 | ABCB11 (0.73) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6449596 | 0.89 | ABCB11 (0.59) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569135 | 0.88 | ABCB11 (0.71) | ABCB11PDK1PDK2PDK3PDK4 | |
| SCHEMBL6569720 | 0.88 | ABCB11 (0.78) | 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 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 | ABCB11 325/4885PDK1 2/4885PDK2 8/4885 |
“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.