Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.81 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.77 |
| ▸ | SRC | P12931 | 5/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5490668 | 0.99 | EGFR (0.79) | EGFRERBB2KCNH2SRC | |
| SCHEMBL4033753 | 0.92 | EGFR (0.79) | EGFRERBB2KCNH2SRC | |
| SCHEMBL4031392 | 0.90 | EGFR (0.81) | EGFRERBB2KCNH2SRC | |
| SCHEMBL4030332 | 0.90 | EGFR (0.85) | EGFRERBB2KCNH2SRC | |
| Hydrochloric Acid SCHEMBL5475625 | 0.89 | EGFR (0.83) | EGFRERBB2KCNH2SRC | |
| Hydrochloric Acid SCHEMBL4031109 | 0.89 | EGFR (0.79) | EGFRERBB2KCNH2SRC | |
| Hydrochloric Acid SCHEMBL4033478 | 0.87 | EGFR (0.73) | EGFRERBB2KCNH2SRC | |
| SCHEMBL4030934 | 0.87 | ERBB2 (1.00) | EGFRERBB2KCNH2 | |
| SCHEMBL4027862 | 0.87 | EGFR (0.79) | EGFRERBB2KCNH2SRC | |
| SCHEMBL4029389 | 0.86 | EGFR (0.81) | EGFRERBB2KCNH2SRC |
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-1444210-B1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |