Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27719497 | 0.85 | ENPP2 (0.43) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27561354 | 0.83 | ENPP2 (0.45) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL607349 | 0.81 | ENPP2 (0.52) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8471032 | 0.80 | TDP1 (0.57) | PTGS2AKR1C3ALDH1A1 | |
| SCHEMBL9720723 | 0.78 | MAOB (0.55) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9720721 | 0.78 | MAOB (0.55) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2376239 | 0.77 | ENPP2 (0.72) | ENPP2PTGS2 | |
| SCHEMBL2186171 | 0.77 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL8605268 | 0.77 | PTGS2 (0.51) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1202375 | 0.76 | ENPP2 (0.52) | ENPP2PTGS2AKR1C3AKR1C2AKR1C1 |
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-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 |