Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Erlotinib. 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 | 17/20 | 0.87 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.87 |
| ▸ | GAK | O14976 | 3/20 | 0.87 |
| ▸ | ILK | Q13418 | 2/20 | 0.87 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.87 |
| ▸ | BUB1 | O43683 | 2/20 | 0.87 |
| ▸ | STK10 | O94804 | 2/20 | 0.87 |
| ▸ | ABL1 | P00519 | 2/20 | 0.87 |
| ▸ | LCK | P06239 | 2/20 | 0.87 |
| ▸ | LYN | P07948 | 2/20 | 0.87 |
| ▸ | RET | P07949 | 2/20 | 0.87 |
| ▸ | SRC | P12931 | 2/20 | 0.87 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.87 |
| ▸ | FECH | P22830 | 2/20 | 0.87 |
| ▸ | KDR | P35968 | 2/20 | 0.87 |
| ▸ | FLT3 | P36888 | 2/20 | 0.87 |
| ▸ | MAP3K1 | Q13233 | 2/20 | 0.87 |
| ▸ | PLK4 | O00444 | 1/20 | 0.87 |
| ▸ | CIT | O14578 | 1/20 | 0.87 |
| ▸ | AURKA | O14965 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| Erlotinib SCHEMBL482649 | 0.97 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL33835 | 0.97 | EGFR (0.89) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL4484316 | 0.96 | EGFR (0.87) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL29120903 | 0.93 | EGFR (0.96) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL30362833 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL8413 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL29351329 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL3667407 | 0.93 | EGFR (1.00) | EGFRERBB2GAKILKRIPK2 | |
| Erlotinib SCHEMBL28471753 | 0.92 | EGFR (0.94) | EGFRERBB2GAKILKRIPK2 | |
| SCHEMBL13524618 | 0.92 | EGFR (0.94) | EGFRERBB2GAKILKRIPK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014118737-A1 | ERLOTINIB SALTS | RANBAXY LABORATORIES LIMITED (IN) | 2014-08-07 | — | — | WO | disclosed |
| WO-2011068403-A3 | NOVEL N-{3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMJNE SALTS | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-09-15 | — | — | WO | disclosed |
| WO-2011068403-A2 | NOVEL N-{3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMJNE SALTS | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-06-09 | — | — | WO | disclosed |
| WO-2011068403-A2 | NOVEL N-{3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMJNE SALTS | ULTIMORPHIX TECHNOLOGIES B.V. (NL) | 2011-06-09 | — | — | WO | disclosed |