Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.48 |
| ▸ | EGFR | P00533 | 8/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 8/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 8/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 8/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 8/20 | 0.46 |
| ▸ | FLT1 | P17948 | 5/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.44 |
| ▸ | FLT4 | P35916 | 4/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.43 |
| ▸ | KIF5B | P33176 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13310114 | 0.91 | ABCG2 (0.48) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL13310110 | 0.83 | KDR (0.55) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL15127681 | 0.83 | SRC (0.49) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL13485447 | 0.75 | SRC (0.47) | KDR | |
| SCHEMBL13310108 | 0.73 | KDR (0.50) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL13310109 | 0.71 | EGFR (0.53) | KDREGFRFLT1FGFR1FLT4 | |
| SCHEMBL1887966 | 0.69 | KDR (0.71) | KDREGFRHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL6489998 | 0.69 | KDR (0.70) | KDREGFRHDAC3HDAC4HDAC1 | |
| SCHEMBL17520351 | 0.68 | KDR (0.78) | KDREGFRFLT1FGFR1FLT4 | |
| SCHEMBL17520325 | 0.68 | KDR (0.77) | KDREGFRFLT1FGFR1FLT4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9688691-B2 | Macrocyclic quinazole derivatives and their use as MTKI | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-27 | — | — | US | disclosed |