Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6603370 | 0.84 | PTGS2 (0.50) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL7818627 | 0.82 | AKR1C3 (0.44) | PTGS2AKR1C3 | |
| SCHEMBL8191216 | 0.82 | PTGS2 (0.48) | PTGS2 | |
| SCHEMBL29113143 | 0.80 | PTGS2 (0.53) | PTGS2ENPP2 | |
| SCHEMBL193931 | 0.79 | CYP2D6 (0.48) | — | |
| SCHEMBL4977528 | 0.79 | PTGS2 (0.44) | PTGS2 | |
| SCHEMBL4975056 | 0.79 | PTGS2 (0.44) | PTGS2 | |
| SCHEMBL17069339 | 0.79 | PTGS2 (0.52) | PTGS2AKR1C2AKR1C3ENPP2 | |
| SCHEMBL30395150 | 0.79 | PTGS2 (0.52) | PTGS2AKR1C2AKR1C3ENPP2 | |
| SCHEMBL8605270 | 0.79 | PTGS2 (0.52) | PTGS2ENPP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1181284-A1 | DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE | MERCK FROSST CANADA INC. (CA) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000068215-A1 | DIPHENYL-1,2,3-THIADIAZOL-3-OXIDES, COMPOSITIONS AND METHODS OF USE | MERCK FROSST CANADA & CO. (CA) | 2000-11-16 | — | — | WO | disclosed |
| US-5723489-A | ADRENERGIC BLOCKING AGENTS OR STIMULANTS FOR GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-03-03 | — | — | US | disclosed |