Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.51 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 2/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2328836 | 1.00 | NPC1 (0.55) | NPC1RAB9AAOC3TAAR1BCAT2 | |
| SCHEMBL2432247 | 0.86 | BCAT2 (0.66) | NPC1RAB9AAOC3TAAR1BCAT2 | |
| SCHEMBL28710854 | 0.84 | LMNA (0.55) | NPC1RAB9ABCAT2APAF1MEN1 | |
| SCHEMBL4530460 | 0.82 | NPC1 (0.61) | NPC1RAB9AAOC3TAAR1APAF1 | |
| SCHEMBL8384245 | 0.80 | MTNR1A (0.60) | NPC1RAB9AAOC3TAAR1APAF1 | |
| SCHEMBL8384291 | 0.80 | MTNR1A (0.60) | NPC1RAB9AAOC3TAAR1APAF1 | |
| SCHEMBL2091303 | 0.80 | MTNR1A (0.60) | NPC1RAB9AAOC3TAAR1APAF1 | |
| Hydrochloric Acid SCHEMBL4323386 | 0.80 | TAAR1 (0.60) | NPC1RAB9AAOC3TAAR1APAF1 | |
| SCHEMBL4590879 | 0.79 | LMNA (0.54) | BCAT2MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL27901634 | 0.79 | OPRM1 (0.56) | NPC1RAB9AMEN1MAPTKMT2A |
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 |