Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | SYK | P43405 | 2/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319990 | 0.84 | EGFR (0.54) | EGFRCDK1PRKCABRAF | |
| SCHEMBL27423218 | 0.81 | EGFR (0.52) | EGFRADORA3ADORA2AADORA1CDK1 | |
| SCHEMBL8316963 | 0.80 | EGFR (0.86) | EGFRERBB2HTTAURKA | |
| SCHEMBL8316727 | 0.79 | EGFR (0.73) | EGFRSYKERBB2HTTAURKA | |
| SCHEMBL8316538 | 0.79 | EGFR (0.59) | EGFRSYKCDK1AURKA | |
| SCHEMBL8314278 | 0.76 | EGFR (0.61) | EGFRERBB2HTT | |
| SCHEMBL8318282 | 0.75 | EGFR (0.71) | EGFRSYKERBB2HPGDHTT | |
| SCHEMBL8318072 | 0.75 | EGFR (0.71) | EGFRADORA3ADORA2AADORA1SYK | |
| SCHEMBL8316527 | 0.75 | EGFR (0.52) | EGFRERBB2BRAF | |
| SCHEMBL8319428 | 0.75 | EGFR (0.73) | EGFRSYKERBB2HPGDHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0779888-B1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA (DE) | 1999-04-28 | — | — | EP | disclosed |