Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 9/20 | 0.43 |
| ▸ | ERBB3 | P21860 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798668 | 1.00 | KCNH2 (0.46) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL8799684 | 0.91 | KCNH2 (0.47) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL8804525 | 0.83 | EGFR (0.48) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL8804523 | 0.83 | EGFR (0.48) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL8799037 | 0.83 | KCNH2 (0.52) | KCNH2EGFRMAPKAPK2CDK2ROCK2 | |
| SCHEMBL8799034 | 0.83 | KCNH2 (0.52) | KCNH2EGFRMAPKAPK2CDK2ROCK2 | |
| SCHEMBL8318242 | 0.81 | KCNH2 (0.51) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL8318239 | 0.81 | KCNH2 (0.51) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL7858348 | 0.81 | KCNH2 (0.49) | KCNH2EGFRERBB3MEN1ALDH1A1 | |
| SCHEMBL7856082 | 0.80 | KCNH2 (0.49) | KCNH2EGFRERBB3MEN1ALDH1A1 |
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 |