Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 13/20 | 0.67 |
| ▸ | EGFR | P00533 | 13/20 | 0.67 |
| ▸ | STK4 | Q13043 | 6/20 | 0.67 |
| ▸ | STK3 | Q13188 | 5/20 | 0.67 |
| ▸ | SRC | P12931 | 2/20 | 0.67 |
| ▸ | KDR | P35968 | 2/20 | 0.67 |
| ▸ | STK25 | O00506 | 1/20 | 0.67 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.67 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.67 |
| ▸ | GAK | O14976 | 1/20 | 0.67 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.67 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.67 |
| ▸ | MAP3K13 | O43283 | 1/20 | 0.67 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.67 |
| ▸ | STK17B | O94768 | 1/20 | 0.67 |
| ▸ | STK10 | O94804 | 1/20 | 0.67 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.67 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL10054544 | 0.92 | ERBB2 (0.69) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL10054545 | 0.92 | EGFR (0.79) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL10023955 | 0.84 | EGFR (0.73) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL14765634 | 0.82 | STK3 (0.82) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL24037452 | 0.82 | ERBB2 (0.89) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL14765613 | 0.82 | STK3 (0.68) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL14765643 | 0.82 | STK4 (0.66) | ERBB2EGFRSTK4STK3SRC | |
| SCHEMBL9883172 | 0.81 | ERBB2 (0.87) | ERBB2EGFRSTK4STK3SRC | |
| Neratinib SCHEMBL571763 | 0.80 | ERBB2 (1.00) | ERBB2EGFRSTK4STK3SRC | |
| Neratinib SCHEMBL571762 | 0.80 | ERBB2 (1.00) | ERBB2EGFRSTK4STK3SRC |
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 |
|---|---|---|---|---|---|---|---|
| US-8394959-B2 | Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-buteramide and crystalline forms thereof | WYETH LLC (US) | 2013-03-12 | — | — | US | disclosed |