Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.39 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | KIF5B | P33176 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28409239 | 0.88 | EGFR (0.63) | EGFRKDREPHB4EPHA2ERBB2 | |
| SCHEMBL7475167 | 0.87 | EGFR (0.51) | EGFREPHA2 | |
| SCHEMBL28181381 | 0.82 | EGFR (0.53) | EGFRHDAC3HDAC1HDAC6KDR | |
| SCHEMBL28411490 | 0.81 | EGFR (0.60) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL7473037 | 0.78 | SRC (0.49) | EGFRKDRERBB2PDGFRB | |
| SCHEMBL28407547 | 0.77 | EGFR (0.49) | EGFRHDAC3HDAC1HDAC6EPHA2 | |
| SCHEMBL28181388 | 0.76 | EGFR (0.56) | EGFRHDAC3HDAC1HDAC6KDR | |
| SCHEMBL28407194 | 0.75 | EGFR (0.42) | EGFRERBB2 | |
| SCHEMBL28409241 | 0.75 | EPHA2 (0.49) | EGFRKDREPHB4EPHA2 | |
| SCHEMBL28409415 | 0.74 | EGFR (0.44) | EGFRHDAC3HDAC1HDAC6KDR |
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-107200715-B | Quinazoline derivative and application thereof in preparation of antitumor drugs | 陕西师范大学 | 2020-05-29 | — | — | CN | disclosed |
| CN-107200715-A | Quinazoline derivant and its application in antineoplastic is prepared | 陕西师范大学 | 2017-09-26 | — | — | CN | disclosed |