Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.51 |
| ▸ | FLT3 | P36888 | 1/20 | 0.51 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.46 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6998863 | 0.89 | EGFR (0.54) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL6993407 | 0.87 | EGFR (0.53) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL6995917 | 0.77 | BRAF (0.54) | EGFRERBB2ERBB4BRAF | |
| SCHEMBL8317375 | 0.76 | EGFR (0.62) | EGFRERBB2MAPTBRAFKHK | |
| SCHEMBL8314285 | 0.76 | BRAF (0.62) | EGFRMKNK2BRAF | |
| SCHEMBL6990834 | 0.75 | BRAF (0.55) | EGFRBRAF | |
| SCHEMBL23957526 | 0.75 | EGFR (0.52) | EGFRERBB2MAPTBRAF | |
| SCHEMBL8317479 | 0.75 | EGFR (0.73) | EGFRERBB2ERBB4MAPTBRAF | |
| SCHEMBL6993581 | 0.75 | EGFR (0.58) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL6994075 | 0.74 | EGFR (0.51) | EGFRERBB2AURKBCHEK2ROS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888351-B1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | THOMAE GMBH DR K (DE) | 2003-10-15 | — | — | EP | disclosed |
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | disclosed |