Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.61 |
| ▸ | KDR | P35968 | 5/20 | 0.61 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.61 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.59 |
| ▸ | EGFR | P00533 | 9/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.56 |
| ▸ | SRC | P12931 | 2/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 2/20 | 0.55 |
| ▸ | LCK | P06239 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | MET | P08581 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165322 | 1.00 | ABCG2 (0.61) | ABCG2KDREPHA2EPHB4HDAC3 | |
| SCHEMBL6160854 | 0.91 | ABCG2 (0.64) | ABCG2KDRHDAC3HDAC1HDAC6 | |
| SCHEMBL6160858 | 0.91 | ABCG2 (0.64) | ABCG2KDRHDAC3HDAC1HDAC6 | |
| SCHEMBL5866417 | 0.83 | EGFR (0.75) | ABCG2KDREPHB4HDAC3HDAC1 | |
| SCHEMBL5866422 | 0.83 | EGFR (0.75) | ABCG2KDREPHB4HDAC3HDAC1 | |
| SCHEMBL3529976 | 0.82 | ABCG2 (0.73) | ABCG2KDRHDAC3HDAC1HDAC6 | |
| SCHEMBL6162864 | 0.82 | ABCG2 (0.73) | ABCG2KDRHDAC3HDAC1HDAC6 | |
| SCHEMBL6164322 | 0.82 | ABCG2 (0.73) | ABCG2KDRHDAC3HDAC1HDAC6 | |
| SCHEMBL29624383 | 0.81 | KDR (0.77) | KDREPHA2EPHB4EGFRSRC | |
| SCHEMBL28726470 | 0.81 | KDR (0.77) | KDREPHA2EPHB4EGFRSRC |
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-1218357-B1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-04-06 | — | — | EP | claimed |