Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.56 |
| ▸ | CA1 | P00915 | 13/20 | 0.56 |
| ▸ | CA9 | Q16790 | 12/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DKK1 | O94907 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL6988359 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL6986739 | 0.81 | PTGS2 (0.54) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL6989032 | 0.81 | PTGS2 (0.54) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL8799123 | 0.80 | PTGS2 (0.52) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL6988455 | 0.80 | PTGS2 (0.52) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL8799520 | 0.80 | PTGS2 (0.52) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL6994862 | 0.79 | PTGS2 (0.53) | CA2CA1PTGS2PTGS1 | |
| SCHEMBL6987745 | 0.79 | PTGS2 (0.53) | CA2CA1PTGS2PTGS1 | |
| SCHEMBL6990787 | 0.78 | PTGS2 (0.56) | CA2CA1CA9PTGS2PTGS1 | |
| SCHEMBL6990547 | 0.78 | PTGS2 (0.56) | CA2CA1CA9PTGS2PTGS1 |
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-0799218-B1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | claimed |
| 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 |