Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.76 |
| ▸ | KDR | P35968 | 3/20 | 0.65 |
| ▸ | RET | P07949 | 2/20 | 0.65 |
| ▸ | LCK | P06239 | 4/20 | 0.64 |
| ▸ | SRC | P12931 | 2/20 | 0.54 |
| ▸ | GAK | O14976 | 1/20 | 0.54 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.54 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5242378 | 0.88 | EGFR (0.61) | EGFRKDRRETLCKSRC | |
| SCHEMBL30353898 | 0.88 | EGFR (0.67) | EGFRKDRRETLCKSRC | |
| SCHEMBL20546988 | 0.88 | EGFR (0.67) | EGFRKDRRETLCKSRC | |
| SCHEMBL27775619 | 0.87 | KDR (0.67) | EGFRKDRRETLCKSRC | |
| SCHEMBL27754820 | 0.87 | EGFR (0.76) | EGFRKDRRETLCKSRC | |
| SCHEMBL27775602 | 0.87 | EGFR (0.67) | EGFRKDRRETLCKSRC | |
| SCHEMBL27755185 | 0.87 | EGFR (0.67) | EGFRKDRRETLCKSRC | |
| SCHEMBL27775596 | 0.86 | EGFR (0.75) | EGFRKDRRETLCKSRC | |
| SCHEMBL27755281 | 0.86 | EGFR (1.00) | EGFRKDRSRCGAKEPHB2 | |
| SCHEMBL27754942 | 0.84 | EGFR (0.65) | EGFRKDRRETLCKSRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-105037279-A | 4-N substituted quinazoline derivants adopting pentadienone structure and preparation and application of 4-N substituted quinazoline derivants | UNIV GUIZHOU | 2015-11-11 | — | — | CN | disclosed |