Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Parecoxib. 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 | 11/20 | 0.96 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.96 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Parecoxib SCHEMBL29561416 | 0.98 | PTGS2 (1.00) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| Parecoxib SCHEMBL9529 | 0.98 | PTGS2 (1.00) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| SCHEMBL28646416 | 0.98 | PTGS2 (1.00) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| Parecoxib SCHEMBL28381051 | 0.97 | PTGS2 (0.98) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| Parecoxib SCHEMBL117193 | 0.97 | PTGS2 (0.98) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| Parecoxib SCHEMBL5709079 | 0.97 | PTGS2 (0.98) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| Parecoxib SCHEMBL28086681 | 0.93 | PTGS2 (0.90) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| SCHEMBL13772645 | 0.90 | PTGS2 (0.85) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| SCHEMBL12546410 | 0.90 | PTGS2 (0.85) | PTGS2NR4A2MT-CO2PTGS1CA12 | |
| SCHEMBL5071003 | 0.89 | PTGS2 (0.84) | PTGS2NR4A2MT-CO2PTGS1CA12 |
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-105744983-B | Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents | 纳米医学系统公司 | 2019-12-27 | — | — | CN | disclosed |