Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 11/20 | 0.56 |
| ▸ | EGFR | P00533 | 11/20 | 0.56 |
| ▸ | ERBB4 | Q15303 | 6/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4763459 | 0.87 | ERBB2 (0.56) | ERBB2EGFRERBB4KCNH2 | |
| Hydrochloric Acid SCHEMBL3507866 | 0.86 | EGFR (0.53) | ERBB2EGFRERBB4KCNH2TLR7 | |
| SCHEMBL27751027 | 0.83 | ERBB2 (0.55) | ERBB2EGFRERBB4KCNH2TLR7 | |
| SCHEMBL3505760 | 0.82 | ERBB2 (0.55) | ERBB2EGFRERBB4 | |
| SCHEMBL3507874 | 0.82 | ERBB2 (0.53) | ERBB2EGFRERBB4KCNH2 | |
| SCHEMBL14494991 | 0.79 | EGFR (0.47) | ERBB2EGFRERBB4 | |
| SCHEMBL4194347 | 0.76 | ERBB2 (0.56) | ERBB2EGFRERBB4KCNH2 | |
| SCHEMBL4761034 | 0.75 | ERBB2 (0.61) | ERBB2EGFR | |
| SCHEMBL14494731 | 0.74 | ERBB2 (0.52) | ERBB2EGFRERBB4 | |
| SCHEMBL3618270 | 0.74 | ERBB2 (0.56) | ERBB2EGFRERBB4KCNH2 |
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-1957495-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064045-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-07 | — | — | WO | disclosed |