Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.52 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798647 | 0.85 | EGFR (0.55) | EGFRTNNI3KALDH1A1HSD17B10MAPK1 | |
| SCHEMBL8798643 | 0.85 | EGFR (0.55) | EGFRTNNI3KALDH1A1HSD17B10MAPK1 | |
| SCHEMBL7856313 | 0.85 | TNNI3K (0.49) | EGFRTNNI3KALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL8798960 | 0.84 | EGFR (0.54) | EGFRTNNI3KALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL8799149 | 0.83 | IRAK4 (0.50) | EGFRTNNI3KCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8799084 | 0.83 | IRAK4 (0.50) | EGFRTNNI3KCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8801487 | 0.83 | EGFR (0.50) | EGFRTNNI3KALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL8798922 | 0.82 | EGFR (0.52) | EGFRTNNI3KALDH1A1KCNH2IRAK4 | |
| SCHEMBL8799671 | 0.82 | EGFR (0.49) | EGFRTNNI3KALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL8798928 | 0.82 | EGFR (0.52) | EGFRTNNI3KALDH1A1KCNH2IRAK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1047778-C | Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them | THOMAE GMBH DR K (DE) | 1999-12-29 | — | — | CN | disclosed |
| 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 |