Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.50 |
| ▸ | EGFR | P00533 | 5/20 | 0.50 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799084 | 1.00 | IRAK4 (0.50) | IRAK4EGFRTNNI3KCYP1A2CYP3A4 | |
| SCHEMBL8798647 | 0.85 | EGFR (0.55) | IRAK4EGFRTNNI3K | |
| SCHEMBL8798643 | 0.85 | EGFR (0.55) | IRAK4EGFRTNNI3K | |
| SCHEMBL27318006 | 0.84 | IRAK4 (0.42) | IRAK4EGFRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8801487 | 0.83 | EGFR (0.50) | EGFRTNNI3K | |
| SCHEMBL8798907 | 0.83 | EGFR (0.52) | IRAK4EGFRTNNI3KCYP1A2CYP3A4 | |
| SCHEMBL8798928 | 0.82 | EGFR (0.52) | IRAK4EGFRTNNI3K | |
| SCHEMBL8804869 | 0.82 | EGFR (0.52) | IRAK4EGFRTNNI3K | |
| SCHEMBL8798922 | 0.82 | EGFR (0.52) | IRAK4EGFRTNNI3K | |
| SCHEMBL8798960 | 0.82 | EGFR (0.54) | EGFRTNNI3K |
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 |
|---|---|---|---|---|---|---|---|
| EP-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | disclosed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | disclosed |