Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.54 |
| ▸ | KDR | P35968 | 9/20 | 0.52 |
| ▸ | EGFR | P00533 | 7/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.50 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.50 |
| ▸ | STK10 | O94804 | 1/20 | 0.50 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6161459 | 1.00 | ABCG2 (0.59) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6161481 | 0.93 | ABCG2 (0.65) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6164909 | 0.93 | ABCG2 (0.65) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6161960 | 0.93 | HDAC3 (0.53) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6161967 | 0.93 | HDAC3 (0.53) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6162073 | 0.91 | ABCG2 (0.65) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6162063 | 0.91 | ABCG2 (0.65) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6161855 | 0.91 | ABCG2 (0.64) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6161863 | 0.91 | ABCG2 (0.64) | ABCG2HDAC3HDAC1HDAC6ABCB1 | |
| SCHEMBL6165542 | 0.90 | ABCG2 (0.67) | ABCG2HDAC3HDAC1HDAC6ABCB1 |
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 |