Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 6/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | PRKACG | P22612 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23652014 | 0.86 | CYP3A4 (0.55) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL24411225 | 0.86 | CYP3A4 (0.55) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL19968424 | 0.86 | CYP3A4 (0.57) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL29214652 | 0.84 | CYP3A4 (0.52) | CYP3A4GRM4MAOAALOX5TLR8 | |
| SCHEMBL28665368 | 0.83 | CYP3A4 (0.51) | CYP3A4GRM4MAOBPLAUPLAT | |
| SCHEMBL29878333 | 0.82 | CYP3A4 (0.58) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL3898712 | 0.82 | CYP3A4 (0.58) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL29214660 | 0.80 | CYP3A4 (0.51) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL311094 | 0.79 | CYP3A4 (0.58) | CYP3A4GRM4DYRK1AMAOAALOX5 | |
| SCHEMBL30153587 | 0.79 | CYP3A4 (0.58) | CYP3A4GRM4DYRK1AMAOAALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2210607-B1 | N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer | EXELIXIS INC (US) | 2011-08-17 | — | — | EP | disclosed |