Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | INSR | P06213 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.46 |
| ▸ | TEK | Q02763 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8599966 | 0.90 | EGFR (0.48) | EGFRERBB2HPGDHTTKCNH2 | |
| SCHEMBL8599962 | 0.90 | EGFR (0.48) | EGFRERBB2HPGDHTTKCNH2 | |
| SCHEMBL8569353 | 0.90 | IRAK4 (0.46) | EGFRERBB2HPGDHTTKCNH2 | |
| SCHEMBL8569937 | 0.89 | EGFR (0.62) | EGFRERBB2HPGDHTTFBP1 | |
| SCHEMBL8571048 | 0.85 | EGFR (0.58) | EGFRERBB2HPGDHTTFBP1 | |
| SCHEMBL8570045 | 0.84 | EGFR (0.59) | EGFRERBB2HPGDHTTKCNH2 | |
| SCHEMBL6995190 | 0.76 | EGFR (0.80) | EGFRERBB2HPGDHTTFBP1 | |
| SCHEMBL8570632 | 0.74 | EGFR (0.56) | EGFRERBB2HPGDHTTFBP1 | |
| SCHEMBL8571199 | 0.73 | CSNK2A1 (0.58) | EGFRERBB2HPGDHTTAURKA | |
| SCHEMBL8571202 | 0.73 | CSNK2A1 (0.58) | EGFRERBB2HPGDHTTAURKA |
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-0885226-A1 | 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997032881-A1 | 4-AMINO PYRIMIDINE DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | disclosed |