Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | KDR | P35968 | 15/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 2/20 | 0.46 |
| ▸ | BRAF | P15056 | 2/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL535118 | 0.88 | EGFR (0.49) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL6046857 | 0.88 | KDR (0.54) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL535218 | 0.86 | KDR (0.53) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL535365 | 0.82 | EGFR (0.50) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL535303 | 0.81 | EGFR (0.59) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL535170 | 0.78 | KDR (0.56) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL13310045 | 0.77 | KDR (0.51) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL3958826 | 0.76 | EGFR (0.62) | EGFRKDRSRCRAF1BRAF | |
| SCHEMBL13404542 | 0.76 | EGFR (0.56) | EGFRKDRHDAC3HDAC4HDAC1 | |
| SCHEMBL20752925 | 0.75 | KDR (0.49) | EGFRKDRHDAC3HDAC4HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | WO | disclosed |