Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8871487 | 0.88 | EGFR (0.57) | EGFRERBB2MAPK1HTTHIF1A | |
| Hydrochloric Acid SCHEMBL8871612 | 0.81 | MAPK1 (0.63) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL6188219 | 0.79 | MAPK1 (0.73) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL6191292 | 0.78 | EGFR (0.59) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL8871308 | 0.77 | EGFR (0.66) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL8871855 | 0.77 | EGFR (0.66) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL27473492 | 0.77 | MAPK1 (0.70) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL8870421 | 0.77 | EGFR (0.66) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL8871863 | 0.77 | EGFR (0.82) | EGFRERBB2MAPK1HTTHIF1A | |
| SCHEMBL8870721 | 0.76 | EGFR (0.79) | EGFRERBB2BRAFKDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616582-A | Use as anticancer agents; e.g. gefitinib | ZENECA LIMITED (GB) | 1997-04-01 | — | — | US | disclosed |
| EP-0566226-B1 | Quinazoline derivatives | ZENECA LTD (GB) | 1995-11-08 | — | — | EP | disclosed |
| US-5457105-A | anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) | ZENECA LIMITED (GB) | 1995-10-10 | — | — | US | disclosed |
| EP-0566226-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1993-10-20 | — | — | EP | disclosed |