Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.69 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.45 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.45 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170026 | 0.91 | PTGS2 (0.63) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL678225 | 0.83 | PTGS2 (0.84) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL8442044 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8483738 | 0.81 | PTGS2 (0.81) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL7175144 | 0.79 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL8483933 | 0.79 | PTGS2 (0.78) | PTGS2PTGS1 | |
| SCHEMBL790509 | 0.78 | PTGS2 (0.75) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL15730118 | 0.78 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL28971530 | 0.78 | MEN1 (0.48) | PTGS2PTGS1 | |
| SCHEMBL8486254 | 0.77 | PTGS2 (0.74) | PTGS2PTGS1 |
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 |