Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.80 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.80 |
| ▸ | ERBB4 | Q15303 | 4/20 | 0.80 |
| ▸ | KIT | P10721 | 3/20 | 0.80 |
| ▸ | SRC | P12931 | 3/20 | 0.80 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.80 |
| ▸ | CIT | O14578 | 2/20 | 0.80 |
| ▸ | GAK | O14976 | 2/20 | 0.80 |
| ▸ | EPHB6 | O15197 | 2/20 | 0.80 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.80 |
| ▸ | STK17B | O94768 | 2/20 | 0.80 |
| ▸ | STK10 | O94804 | 2/20 | 0.80 |
| ▸ | ABL1 | P00519 | 2/20 | 0.80 |
| ▸ | LCK | P06239 | 2/20 | 0.80 |
| ▸ | LYN | P07948 | 2/20 | 0.80 |
| ▸ | RET | P07949 | 2/20 | 0.80 |
| ▸ | MET | P08581 | 2/20 | 0.80 |
| ▸ | HCK | P08631 | 2/20 | 0.80 |
| ▸ | FGR | P09769 | 2/20 | 0.80 |
| ▸ | EPHA1 | P21709 | 2/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL20931182 | 0.90 | EGFR (0.77) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL54837 | 0.89 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL29368458 | 0.89 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL29623482 | 0.89 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| SCHEMBL27679722 | 0.89 | EGFR (0.64) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL29655741 | 0.89 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL30436576 | 0.88 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL2141065 | 0.88 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| Canertinib SCHEMBL2052123 | 0.88 | EGFR (1.00) | EGFRERBB2ERBB4KITSRC | |
| SCHEMBL29577833 | 0.88 | EGFR (0.92) | EGFRERBB2ERBB4KITSRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2698733-A1 | USES OF MULTI-DIMENSIONAL MATRIX IN PHARMACEUTICAL MOLECULE DESIGN AND PHARMACEUTICAL MOLECULE DESIGN METHOD | Yan, Jingbo (CN) | 2014-02-19 | — | — | EP | disclosed |
| US-20140032198-A1 | APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN | YAN JINGBO (CN) | 2014-01-30 | — | — | US | disclosed |
| US-20140032198-A1 | APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN | YAN JINGBO (CN) | 2014-01-30 | — | — | US | disclosed |