Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 8/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.37 |
| ▸ | KIT | P10721 | 4/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.37 |
| ▸ | FLT3 | P36888 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12057677 | 0.89 | IRAK4 (0.48) | IRAK4CYP3A4CA12CA1CA2 | |
| SCHEMBL12058086 | 0.84 | IRAK4 (0.53) | IRAK4 | |
| SCHEMBL13493538 | 0.84 | IRAK4 (0.67) | IRAK4 | |
| SCHEMBL12037705 | 0.84 | IRAK4 (0.72) | IRAK4 | |
| SCHEMBL12058435 | 0.81 | IRAK4 (0.50) | IRAK4 | |
| SCHEMBL12057759 | 0.81 | IRAK4 (0.49) | IRAK4 | |
| SCHEMBL12037704 | 0.80 | IRAK4 (0.54) | IRAK4CYP3A4CA12CA1CA2 | |
| SCHEMBL12057676 | 0.77 | IRAK4 (0.50) | IRAK4 | |
| SCHEMBL12057779 | 0.76 | IRAK4 (0.51) | IRAK4 | |
| SCHEMBL12058434 | 0.76 | IRAK4 (0.49) | IRAK4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-12-29 | — | — | 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-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | PNP, XDH, PNPO | IRAK4 706/4885CYP3A4 62/4885CA12 4632/4885 |
“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.