Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 4/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10094250 | 0.87 | IRAK4 (0.38) | IRAK4PTPN11NUDT1BTKNR1I2 | |
| SCHEMBL10094186 | 0.87 | IRAK4 (0.43) | IRAK4PTPN11BTKNR1I2ALB | |
| SCHEMBL10094110 | 0.84 | PTPN11 (0.39) | IRAK4PTPN11BTKNR1I2ALB | |
| SCHEMBL10094252 | 0.84 | IRAK4 (0.43) | IRAK4NR1I2ALBPDE4D | |
| SCHEMBL10094106 | 0.82 | PDCD1 (0.40) | IRAK4PTPN11 | |
| SCHEMBL12057657 | 0.81 | BTK (0.46) | IRAK4BTK | |
| SCHEMBL10094230 | 0.81 | GHSR (0.37) | IRAK4PTPN11BTKNR1I2ALB | |
| SCHEMBL10094112 | 0.81 | BRD4 (0.37) | IRAK4PTPN11 | |
| SCHEMBL12057779 | 0.80 | IRAK4 (0.51) | IRAK4PTPN11MEN1KMT2A | |
| SCHEMBL10094111 | 0.80 | TYK2 (0.38) | IRAK4PTPN11 |
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-20120107271-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2012-05-03 | — | — | 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-20120107271-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | CYP2C9, P2RX3, F12 | IRAK4 951/4885PTPN11 819/4885NUDT1 178/4885 |
“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.