Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10094106 | 0.86 | PDCD1 (0.40) | PDCD1CD274IRAK4PTPN11PIK3CA | |
| SCHEMBL10094285 | 0.83 | PIK3CA (0.40) | PDE4DPIK3CDPIK3CASYK | |
| SCHEMBL10094176 | 0.82 | DYRK1A (0.37) | CRHR1IRAK4NPC1PTPN11 | |
| SCHEMBL10094110 | 0.81 | PTPN11 (0.39) | IRAK4PTPN11NR1I2ALBPDE4D | |
| SCHEMBL10094095 | 0.80 | IRAK4 (0.55) | IRAK4 | |
| SCHEMBL10094255 | 0.79 | IRAK4 (0.41) | IRAK4NPC1RAB9APTPN11NR1I2 | |
| SCHEMBL10094230 | 0.79 | GHSR (0.37) | PDCD1CD274IRAK4PTPN11NR1I2 | |
| SCHEMBL10094179 | 0.79 | PTPN11 (0.35) | PDCD1CD274CRHR1PTPN11PIK3CA | |
| SCHEMBL10094111 | 0.78 | TYK2 (0.38) | PDCD1CD274IRAK4PTPN11 | |
| SCHEMBL10094250 | 0.77 | IRAK4 (0.38) | PDCD1CD274IRAK4PTPN11NR1I2 |
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 | GABRG2 4546/4885GABRB3 3780/4885GABRA2 4297/4885 |
“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.