Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.76 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.72 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.69 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.68 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.68 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.68 |
| ▸ | PIM1 | P11309 | 1/20 | 0.67 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.66 |
| ▸ | RELA | Q04206 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL2100347 | 0.87 | EGFR (0.77) | EGFRERBB2ABCG2HTT | |
| SCHEMBL27758510 | 0.87 | EGFR (0.76) | EGFRERBB2ABCG2KDM4EHTT | |
| SCHEMBL12012727 | 0.86 | EGFR (1.00) | EGFRERBB2ABCG2 | |
| SCHEMBL9974895 | 0.86 | EGFR (0.76) | EGFRERBB2ABCG2 | |
| SCHEMBL2986894 | 0.85 | EGFR (1.00) | EGFRERBB2 | |
| SCHEMBL8870637 | 0.85 | EGFR (0.78) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL3000541 | 0.84 | EGFR (0.98) | EGFRERBB2 | |
| SCHEMBL27922065 | 0.84 | EGFR (0.69) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL24249504 | 0.84 | GMPS (0.77) | EGFRABCG2NPC1HTT | |
| SCHEMBL29392392 | 0.84 | GMPS (0.77) | EGFRABCG2NPC1HTT |
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 |