Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Deracoxib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 18/20 | 0.80 |
| ▸ | PTGS1 | P23219 | 16/20 | 0.80 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.80 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.67 |
| ▸ | PTGES | O14684 | 1/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | PDE5A | O76074 | 1/20 | 0.67 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Deracoxib SCHEMBL29593653 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL24645 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL6601340 | 0.89 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL28723602 | 0.89 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL213124 | 0.89 | PTGS2 (0.84) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| Deracoxib SCHEMBL6599167 | 0.85 | PTGS2 (0.91) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL213150 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6350722 | 0.82 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6343102 | 0.82 | PTGS2 (0.84) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Celecoxib SCHEMBL3708 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1ABCB11PDPK1PTGES |
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-1175214-B1 | CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT | PHARMACIA CORP (US) | 2004-11-24 | — | — | EP | disclosed |