Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Etoricoxib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 20/20 | 0.97 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.97 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.97 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.97 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.97 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Etoricoxib SCHEMBL14126237 | 1.00 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29366203 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29402456 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14163961 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL30988052 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL321747 | 0.97 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL183950 | 0.97 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL322344 | 0.97 | PTGS2 (0.97) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL28319282 | 0.96 | PTGS2 (0.95) | PTGS2PTGS1ABCC4ABCB11PDE4D |
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-111410629-A | Etoricoxib solvate and preparation method thereof | 天津大学 | 2020-07-14 | — | — | CN | disclosed |