Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.57 |
| ▸ | KDR | P35968 | 3/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.45 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29988823 | 0.88 | EGFR (0.55) | EGFRPDGFRBKDRPDE5AABCG2 | |
| SCHEMBL28491414 | 0.88 | EGFR (0.55) | EGFRPDGFRBKDRPDE5AABCG2 | |
| SCHEMBL23037568 | 0.84 | EGFR (0.56) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL30367299 | 0.81 | CYP1A2 (0.40) | EGFRPDGFRBKDRCYP1A2 | |
| SCHEMBL2256659 | 0.80 | EGFR (0.54) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL3115859 | 0.76 | EGFR (0.74) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL19789164 | 0.76 | EGFR (0.74) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL19789183 | 0.75 | EGFR (0.62) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL2259608 | 0.73 | EGFR (0.74) | EGFRPDGFRBKDRHDAC1HDAC8 | |
| SCHEMBL2256177 | 0.73 | EGFR (0.70) | EGFRPDGFRBKDRHDAC1HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115417860-B | Quinazoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-111892581-B | Quinazoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-115417860-A | Quinazoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2022-12-02 | — | — | CN | disclosed |