Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | ATF4 | P18848 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | SELE | P16581 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27635688 | 0.84 | KDM4E (0.44) | PPARGPPARAALDH1A1 | |
| SCHEMBL3331532 | 0.82 | CHRNA3 (0.49) | PPARGPPARACHRNA3SLC6A4HTR2A | |
| SCHEMBL27847863 | 0.77 | ACHE (0.40) | KCNH2MAPTICAM1SELENPC1 | |
| SCHEMBL15528066 | 0.76 | CYP4F2 (0.35) | MAOBMAOAMAPTNPC1HTT | |
| SCHEMBL28516932 | 0.75 | PPARG (0.43) | PPARGPPARACHRNA3SLC6A4ATF4 | |
| SCHEMBL27357987 | 0.74 | ATM (0.49) | MAPTHTTRAB9AALDH1A1HPGD | |
| SCHEMBL156135 | 0.74 | HPGD (0.47) | PPARGPPARAMAOBMAOAHTR2A | |
| SCHEMBL3725791 | 0.74 | MAOB (0.43) | MAOBMAOASMN1; SMN2ALDH1A1 | |
| SCHEMBL23819693 | 0.73 | CHRNA3 (0.50) | PPARGPPARACHRNA3SLC6A4ATF4 | |
| SCHEMBL22406889 | 0.72 | MAOB (0.48) | PPARGPPARACHRNA3SLC6A4MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1203066-C | (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-05-25 | — | — | CN | disclosed |
| CN-1200119-A | (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 1998-11-25 | — | — | CN | disclosed |