Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6997168 | 0.97 | PTGS2 (0.54) | PTGS2PTGS1GSK3BSMN1; SMN2KDM4E | |
| SCHEMBL6991312 | 0.80 | PTGS2 (0.64) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL6993378 | 0.77 | PTGS2 (0.64) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL6986739 | 0.77 | PTGS2 (0.54) | PTGS2PTGS1ALDH1A1HPGD | |
| SCHEMBL6988455 | 0.76 | PTGS2 (0.52) | PTGS2PTGS1ALDH1A1HPGD | |
| SCHEMBL8799520 | 0.76 | PTGS2 (0.52) | PTGS2PTGS1ALDH1A1HPGD | |
| SCHEMBL8799123 | 0.76 | PTGS2 (0.52) | PTGS2PTGS1ALDH1A1HPGD | |
| SCHEMBL6989032 | 0.75 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL6989030 | 0.74 | PTGS2 (0.67) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL7573008 | 0.71 | PTGS2 (0.57) | PTGS2PTGS1GSK3BSMN1; SMN2KDM4E |
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-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 |