Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29912818 | 1.00 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16056691 | 0.86 | KDM4E (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL21476509 | 0.80 | CYP2A6 (0.60) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL27564359 | 0.80 | NPC1 (0.46) | CYP2A6HSP90AA1MAPTGAAHPGD | |
| SCHEMBL30702237 | 0.79 | MKNK1 (0.59) | CYP2A6CYP3A4CYP1A2MKNK1MKNK2 | |
| SCHEMBL30702229 | 0.79 | MKNK1 (0.59) | CYP2A6CYP3A4CYP1A2MKNK1MKNK2 | |
| SCHEMBL27586450 | 0.76 | NUDT1 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28313349 | 0.76 | PIK3CA (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL16099185 | 0.76 | RXFP1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28242608 | 0.75 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7579353-B2 | Pyridinone derivatives against malaria | GLAXO GROUP LIMITED (GB) | 2009-08-25 | — | — | US | disclosed |
| US-20080287461-A1 | Pyridinone Derivatives Against Malaria | GLAXO GROUP LIMITED (GB) | 2008-11-20 | — | — | US | 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-20080287461-A1 | Pyridinone Derivatives Against Malaria | G6PD, PNPO, PLPBP | CYP2A6 108/4885CYP3A4 5/4885ALDH1A1 287/4885 |
“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.