Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL371906 | 0.90 | ALDH1A1 (0.55) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL378574 | 0.90 | ALDH1A1 (0.55) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL6017607 | 0.81 | ACE (0.54) | ALDH1A1CYP3A4TSHRMMEL1ADORA3 | |
| SCHEMBL4044966 | 0.78 | ALDH1A1 (0.51) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL372167 | 0.78 | ALDH1A1 (0.51) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL18065507 | 0.78 | MMEL1 (0.54) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL16692005 | 0.78 | MMEL1 (0.54) | LTA4HALDH1A1CYP3A4TSHRMMEL1 | |
| SCHEMBL8647455 | 0.77 | KLK5 (0.61) | LTA4HMMEL1ADORA3ADORA2AADORA2B | |
| SCHEMBL8647459 | 0.77 | KLK5 (0.61) | LTA4HMMEL1ADORA3ADORA2AADORA2B | |
| SCHEMBL7269454 | 0.77 | KLK5 (0.61) | LTA4HMMEL1ADORA3ADORA2AADORA2B |
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-A1 | N-[3-fluoro-4-({6-(methyloxy)-7-[(3-piperidin-1-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer | Exelixis Inc. (US) | 2010-07-28 | — | — | EP | disclosed |