Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.67 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | JAK2 | O60674 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 1/20 | 0.56 |
| ▸ | MET | P08581 | 1/20 | 0.56 |
| ▸ | ROS1 | P08922 | 1/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.56 |
| ▸ | KIT | P10721 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.56 |
| ▸ | FER | P16591 | 1/20 | 0.56 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.56 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.56 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.56 |
| ▸ | AXL | P30530 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | PKD1 | P98161 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL22942151 | 0.94 | EGFR (0.77) | EGFRCHEK1AURKACCNT1JAK2 | |
| SCHEMBL22942135 | 0.88 | EGFR (0.72) | EGFR | |
| SCHEMBL22942142 | 0.88 | EGFR (0.80) | EGFR | |
| SCHEMBL29560175 | 0.87 | EGFR (0.55) | EGFRJAK2 | |
| SCHEMBL22950971 | 0.86 | EGFR (0.57) | EGFRCHEK1AURKACCNT1JAK2 | |
| SCHEMBL28736060 | 0.85 | EGFR (0.72) | EGFRCHEK1AURKACCNT1JAK2 | |
| SCHEMBL22942164 | 0.84 | EGFR (0.60) | EGFR | |
| SCHEMBL24780479 | 0.83 | EGFR (0.81) | EGFR | |
| SCHEMBL22942228 | 0.83 | EGFR (0.64) | EGFRCHEK1AURKAJAK2RET | |
| SCHEMBL29559735 | 0.82 | EGFR (0.65) | EGFRCHEK1AURKACCNT1JAK2 |
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-114430740-A | EGFR inhibitor, composition and preparation method thereof | 贝达药业股份有限公司 | 2022-05-03 | — | — | CN | claimed |
| CN-114430740-B | EGFR inhibitors, compositions and methods of making the same | 贝达药业股份有限公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-114430740-A | EGFR inhibitor, composition and preparation method thereof | 贝达药业股份有限公司 | 2022-05-03 | — | — | CN | disclosed |
| WO-2021018003-A1 | EGFR INHIBITOR, COMPOSITION, AND PREPARATION METHOD THEREFOR | 贝达药业股份有限公司 | 2021-02-04 | — | — | WO | disclosed |