Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.83 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | PRNP | P04156 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.65 |
| ▸ | FADS1 | O60427 | 1/20 | 0.63 |
| ▸ | LCK | P06239 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL18349251 | 0.87 | EGFR (0.77) | EGFRABCG2ERBB2MEN1MAPT | |
| SCHEMBL1192454 | 0.86 | EGFR (1.00) | EGFRABCG2MEN1MAPTHTT | |
| SCHEMBL8871504 | 0.86 | EGFR (0.76) | EGFRABCG2ERBB2MAPTHTT | |
| SCHEMBL4587413 | 0.86 | EGFR (0.83) | EGFRABCG2MEN1MAPTHTT | |
| SCHEMBL30552991 | 0.86 | EGFR (1.00) | EGFRABCG2ERBB2ALK | |
| SCHEMBL3244621 | 0.86 | EGFR (1.00) | EGFRABCG2ERBB2ALK | |
| SCHEMBL28805920 | 0.85 | EGFR (0.73) | EGFRERBB2 | |
| SCHEMBL31299935 | 0.84 | EGFR (0.68) | EGFRERBB2MEN1MAPTHTT | |
| SCHEMBL5422743 | 0.84 | EGFR (0.68) | EGFRERBB2MEN1MAPTHTT | |
| SCHEMBL4355658 | 0.83 | EGFR (1.00) | EGFRERBB2MEN1MAPTHTT |
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 |