Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.73 |
| ▸ | GAK | O14976 | 3/20 | 0.69 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.69 |
| ▸ | BUB1 | O43683 | 2/20 | 0.69 |
| ▸ | STK10 | O94804 | 2/20 | 0.69 |
| ▸ | MAP3K1 | Q13233 | 2/20 | 0.69 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.69 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.69 |
| ▸ | CARS1 | P49589 | 1/20 | 0.69 |
| ▸ | FBP1 | P09467 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 4/20 | 0.53 |
| ▸ | SRC | P12931 | 4/20 | 0.53 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.50 |
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | CIT | O14578 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15928191 | 0.94 | EGFR (0.76) | EGFRGAKRIPK2BUB1STK10 | |
| SCHEMBL20865234 | 0.85 | EGFR (1.00) | EGFRGAKRIPK2BUB1STK10 | |
| Icotinib SCHEMBL29544144 | 0.82 | EGFR (1.00) | EGFRGAKRIPK2BUB1STK10 | |
| Icotinib SCHEMBL5843603 | 0.82 | EGFR (1.00) | EGFRGAKRIPK2BUB1STK10 | |
| Icotinib SCHEMBL29355667 | 0.82 | EGFR (1.00) | EGFRGAKRIPK2BUB1STK10 | |
| Icotinib SCHEMBL29376848 | 0.81 | EGFR (0.98) | EGFRGAKRIPK2BUB1STK10 | |
| Icotinib SCHEMBL31236202 | 0.81 | EGFR (0.98) | EGFRGAKRIPK2BUB1STK10 | |
| SCHEMBL1507604 | 0.80 | EGFR (0.87) | EGFRGAKRIPK2BUB1STK10 | |
| SCHEMBL19039352 | 0.80 | EGFR (0.87) | EGFRGAKRIPK2BUB1STK10 | |
| Hydrochloric Acid SCHEMBL1507697 | 0.79 | EGFR (0.85) | EGFRGAKRIPK2BUB1STK10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014117698-A1 | TRICYCLIC DERIVATIVE CONTAINING QUINAZOLINE STRUCTURE, PREPARATION METHOD AND USE THEREOF | 江苏奥赛康药业股份有限公司 (CN) | 2014-08-07 | — | — | WO | disclosed |