Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.65 |
| ▸ | EGFR | P00533 | 16/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 2/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.58 |
| ▸ | KIF5B | P33176 | 1/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | FLT1 | P17948 | 1/20 | 0.57 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.57 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29989073 | 1.00 | ABCG2 (0.65) | ABCG2EGFRKCNH2KDRRET | |
| SCHEMBL16212241 | 0.88 | EGFR (0.63) | ABCG2EGFRKCNH2KDRRET | |
| SCHEMBL4576844 | 0.87 | EGFR (0.52) | ABCG2EGFRKCNH2ERBB2 | |
| SCHEMBL4576452 | 0.87 | EGFR (0.60) | ABCG2EGFRKCNH2 | |
| SCHEMBL29719006 | 0.87 | EGFR (0.60) | ABCG2EGFRKCNH2 | |
| SCHEMBL10100955 | 0.86 | KDR (0.75) | EGFRKCNH2KDRRETKIF5B | |
| SCHEMBL158077 | 0.86 | ABCG2 (0.59) | ABCG2EGFRKDRRETKIF5B | |
| Hydrochloric Acid SCHEMBL4775089 | 0.86 | EGFR (0.59) | ABCG2EGFRKCNH2 | |
| SCHEMBL22983644 | 0.85 | EGFR (0.50) | ABCG2EGFR | |
| SCHEMBL29718969 | 0.85 | EGFR (0.50) | ABCG2EGFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307797-B | Polysubstituted quinazoline compound and application thereof | 江南大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-113307797-A | Polysubstituted quinazoline compound and application thereof | 江南大学 | 2021-08-27 | — | — | CN | disclosed |
| CN-111848584-A | Polysubstituted quinazoline compound and application thereof | 江南大学 | 2020-10-30 | — | — | CN | disclosed |
| WO-2008002039-A1 | QUINAZOLINE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCER CELL | HANMI PHARM. CO., LTD. (KR) | 2008-01-03 | — | — | WO | disclosed |