Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 7/20 | 0.40 |
| ▸ | PTGES | O14684 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12058200 | 0.93 | IRAK4 (0.43) | IRAK4AGPAT2PTGESMAPTNPC1 | |
| SCHEMBL12057967 | 0.84 | PTGES (0.39) | IRAK4PTGESPTGS2 | |
| SCHEMBL12037698 | 0.81 | IRAK4 (0.67) | IRAK4AGPAT2 | |
| SCHEMBL12058067 | 0.79 | IRAK4 (0.43) | IRAK4RAB9A | |
| SCHEMBL12037696 | 0.78 | IRAK4 (0.49) | IRAK4AGPAT2MAPTNPC1RAB9A | |
| SCHEMBL12057672 | 0.77 | PTGES (0.39) | IRAK4PTGESPTGS2NPC1RAB9A | |
| SCHEMBL12058194 | 0.76 | IRAK4 (0.37) | IRAK4PTGESPTGS2 | |
| SCHEMBL12058203 | 0.76 | IRAK4 (0.42) | IRAK4 | |
| SCHEMBL12058246 | 0.75 | IRAK4 (0.35) | IRAK4 | |
| SCHEMBL12058062 | 0.75 | JAK1 (0.34) | IRAK4PTGES |
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 706/4885AGPAT2 4330/4885PTGES 2502/4885 |
“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.