Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.69 |
| ▸ | FLT1 | P17948 | 3/20 | 0.69 |
| ▸ | EGFR | P00533 | 7/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.63 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.63 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.63 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.63 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.63 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.63 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.63 |
| ▸ | RET | P07949 | 4/20 | 0.55 |
| ▸ | KIF5B | P33176 | 3/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.54 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.53 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29428182 | 1.00 | KDR (0.69) | KDRFLT1EGFRHDAC3HDAC4 | |
| SCHEMBL28451851 | 0.88 | KDR (0.73) | KDRFLT1EGFRHDAC3HDAC4 | |
| SCHEMBL29428175 | 0.87 | KDR (0.67) | KDREGFRRETMAPK14 | |
| SCHEMBL28443058 | 0.87 | KDR (0.67) | KDREGFRRETMAPK14 | |
| SCHEMBL29428183 | 0.86 | KDR (0.57) | KDRFLT1EGFRRETKIF5B | |
| SCHEMBL28436953 | 0.86 | KDR (0.57) | KDRFLT1EGFRRETKIF5B | |
| SCHEMBL28439724 | 0.84 | KDR (0.69) | KDREGFRRETKIF5B | |
| SCHEMBL29428174 | 0.84 | KDR (0.69) | KDREGFRRETKIF5B | |
| SCHEMBL5864529 | 0.83 | KDR (1.00) | KDRFLT1EGFRHDAC3HDAC4 | |
| SCHEMBL28441304 | 0.82 | KDR (0.63) | KDREGFRRET |
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 |
|---|---|---|---|---|---|---|---|
| CN-111499583-B | Quinazoline derivative and application thereof as antitumor drug | 沈阳工业大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-111499583-A | Quinazoline derivative and application thereof as antitumor drug | 沈阳工业大学 | 2020-08-07 | — | — | CN | disclosed |