Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.68 |
| ▸ | PGR | P06401 | 4/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902056 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1PGRNR3C1NR3C2 | |
| SCHEMBL13742829 | 0.85 | PTGS2 (0.73) | PTGS2PTGS1PGRNR3C1NR3C2 | |
| SCHEMBL13866612 | 0.82 | PTGS2 (0.61) | PTGS2PTGS1PGRNR3C1NR3C2 | |
| SCHEMBL6997433 | 0.81 | PTGS2 (0.46) | PTGS2PTGS1PGRMAPK13MAPK12 | |
| SCHEMBL439345 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL29748909 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL27456659 | 0.80 | PTGS2 (0.80) | PTGS2PTGS1PGR | |
| SCHEMBL27457609 | 0.79 | PTGS2 (0.64) | PTGS2PTGS1PGRNR3C1NR3C2 | |
| SCHEMBL13751996 | 0.77 | PTGS2 (0.61) | PTGS2PTGS1PGRNR3C1NR3C2 | |
| SCHEMBL6734121 | 0.75 | PTGS2 (0.71) | PTGS2PTGS1PGRNR3C1NR3C2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882016-B1 | ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2000-05-31 | — | — | EP | disclosed |
| US-5925631-A | NOVEL PRODRUGS ARE CONVERTED IN VIVO TO SELECTIVE CYCLOOXYGENASE-2 INHIBITORS; NONSTEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION | MERCK & CO., INC. (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0882016-A1 | ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-12-09 | — | — | EP | disclosed |
| US-5789413-A | ANTIINFLAMMATORY AGENT | MERCK FROSST CANADA, INC. (CA) | 1998-08-04 | — | — | US | disclosed |
| WO-1997028121-A1 | ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-08-07 | — | — | WO | disclosed |