Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Afatinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 20/20 | 1.00 |
| ▸ | ERBB2 known ✓ | P04626 | 10/20 | 1.00 |
| ▸ | ERBB4 known ✓ | Q15303 | 2/20 | 1.00 |
| ▸ | GAK | O14976 | 2/20 | 1.00 |
| ▸ | ABL1 | P00519 | 2/20 | 1.00 |
| ▸ | LCK | P06239 | 2/20 | 1.00 |
| ▸ | MET | P08581 | 2/20 | 1.00 |
| ▸ | PHKG2 | P15735 | 2/20 | 1.00 |
| ▸ | BLK | P51451 | 2/20 | 1.00 |
| ▸ | IRAK1 | P51617 | 2/20 | 1.00 |
| ▸ | DYRK1A | Q13627 | 2/20 | 1.00 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 1.00 |
| ▸ | EPHA6 | Q9UF33 | 2/20 | 1.00 |
| ▸ | CIT | O14578 | 1/20 | 1.00 |
| ▸ | EPHB6 | O15197 | 1/20 | 1.00 |
| ▸ | RIPK2 | O43353 | 1/20 | 1.00 |
| ▸ | STK10 | O94804 | 1/20 | 1.00 |
| ▸ | LYN | P07948 | 1/20 | 1.00 |
| ▸ | RET | P07949 | 1/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Afatinib SCHEMBL28567422 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL232772 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL2269415 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL29733662 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL2865630 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL231072 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL185621 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL2865634 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL185786 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK | |
| Afatinib SCHEMBL231073 | 1.00 | EGFR (1.00) | EGFRERBB2GAKABL1LCK |
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-111297865-A | Use of heterocyclic compound-containing composition for preparing medicine for treating lung cancer | 黄泳华 | 2020-06-19 | — | — | CN | claimed |
| CN-111297865-A | Use of heterocyclic compound-containing composition for preparing medicine for treating lung cancer | 黄泳华 | 2020-06-19 | — | — | CN | disclosed |