Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 4/20 | 0.41 |
| ▸ | EDNRA | P25101 | 4/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069853 | 0.83 | PTGS2 (0.67) | PTGS2NR4A2MT-CO2PTGS1ALDH1A1 | |
| SCHEMBL8348672 | 0.81 | PTGS2 (0.67) | PTGS2MT-CO2PTGS1F2F10 | |
| SCHEMBL5147607 | 0.78 | CASP1 (0.54) | PTGS2EDNRBEDNRACASP1 | |
| SCHEMBL4537894 | 0.76 | PTGS2 (0.72) | PTGS2NR4A2MT-CO2PTGS1ALDH1A1 | |
| SCHEMBL29577826 | 0.76 | PTGS2 (0.72) | PTGS2NR4A2MT-CO2PTGS1ALDH1A1 | |
| Sulfamide SCHEMBL4638969 | 0.73 | PTGS2 (0.82) | PTGS2NR4A2MT-CO2PTGS1 | |
| SCHEMBL5069870 | 0.72 | PTGS2 (0.77) | PTGS2NR4A2MT-CO2PTGS1ALDH1A1 | |
| SCHEMBL8476340 | 0.72 | PTGS2 (0.55) | PTGS2MT-CO2PTGS1ALDH1A1F2 | |
| SCHEMBL8474186 | 0.72 | PTGS2 (0.48) | PTGS2NR4A2MT-CO2PTGS1 | |
| SCHEMBL7963617 | 0.72 | PTGS2 (0.49) | PTGS2MT-CO2PTGS1ALDH1A1F2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997038986-A1 | SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-23 | — | — | WO | claimed |