Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146261 | 0.82 | FFAR4 (0.34) | FFAR4PTGS2PTGS1MAP4K4ABCC4 | |
| SCHEMBL27585000 | 0.76 | PTGS2 (0.62) | FFAR4PTGS2PTGS1ABCC4ABCB11 | |
| SCHEMBL6069906 | 0.72 | PTGS2 (0.63) | PTGS2PTGS1MAP4K4ABCC4ABCB11 | |
| SCHEMBL5904269 | 0.71 | NPSR1 (0.49) | PTGS2MAP4K4 | |
| SCHEMBL5773780 | 0.71 | ALDH1A1 (0.37) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL27635253 | 0.68 | FFAR4 (0.49) | FFAR4PTGS2PTGS1 | |
| SCHEMBL27885119 | 0.68 | USP7 (0.70) | MAP4K4FYN | |
| SCHEMBL14198821 | 0.67 | IDO1 (0.46) | — | |
| SCHEMBL5989061 | 0.67 | CYP2A6 (0.50) | PTGS2PTGS1 | |
| SCHEMBL28051403 | 0.67 | USP7 (0.57) | MAP4K4FYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-106632002-A | Preparation technology of etoricoxib and reference substance 5-chloro-3-(4-(methyl sulphonyl)phenyl)-2,3-bipyridine of etoricoxib | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |