Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 14/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6990955 | 0.99 | PTGS2 (0.54) | PTGS2PTGS1MAOAMAOB | |
| SCHEMBL6990691 | 0.96 | PTGS2 (0.54) | PTGS2PTGS1MAOAMAOB | |
| SCHEMBL8799123 | 0.90 | PTGS2 (0.52) | PTGS2PTGS1MAOAMAOBALDH1A1 | |
| SCHEMBL8799520 | 0.90 | PTGS2 (0.52) | PTGS2PTGS1MAOAMAOBALDH1A1 | |
| SCHEMBL6988455 | 0.90 | PTGS2 (0.52) | PTGS2PTGS1MAOAMAOBALDH1A1 | |
| SCHEMBL6986739 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1MAOAMAOBALDH1A1 | |
| SCHEMBL6990787 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL6988306 | 0.86 | PTGS2 (0.66) | PTGS2PTGS1 | |
| SCHEMBL6989032 | 0.86 | PTGS2 (0.54) | PTGS2PTGS1MAOAMAOB | |
| SCHEMBL6994862 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1ALDH1A1PKMHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | claimed |
| EP-0799218-B1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| US-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |