Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.98 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698670 | 0.99 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346838 | 0.91 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346891 | 0.91 | PTGS2 (0.91) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346857 | 0.91 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346849 | 0.90 | PTGS2 (0.98) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346767 | 0.90 | PTGS2 (0.98) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15347197 | 0.90 | PTGS2 (0.98) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346938 | 0.90 | PTGS2 (0.83) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL4617859 | 0.90 | PTGS2 (0.83) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL15346533 | 0.89 | PTGS2 (0.78) | PTGS2PTGS1CYP2C9PDPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3363435-A1 | ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES | The Ohio State University Research Foundation (US) | 2018-08-22 | — | — | EP | disclosed |
| EP-2635274-B1 | ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES | UNIV OHIO STATE RES FOUND (US) | 2017-12-06 | — | — | EP | disclosed |