Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6263143 | 0.87 | PTGS2 (0.70) | PTGS2PTGS1CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL5694394 | 0.87 | PTGS2 (0.86) | PTGS2PTGS1CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6266521 | 0.87 | PTGS1 (0.80) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL6610915 | 0.87 | PTGS1 (0.80) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL18448102 | 0.86 | PTGS2 (0.72) | PTGS2PTGS1CYP2C9CYP3A4TSHR | |
| SCHEMBL8265772 | 0.86 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9CYP3A4TSHR | |
| SCHEMBL4587051 | 0.86 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9CYP3A4TSHR | |
| SCHEMBL27602805 | 0.85 | PTGS1 (0.82) | PTGS2PTGS1 | |
| SCHEMBL6266112 | 0.84 | PTGS2 (0.87) | PTGS2PTGS1CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6696373 | 0.84 | PTGS2 (0.59) | PTGS2PTGS1CYP2C9CYP1A2CYP3A4 |
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 | disclosed |