Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8089815 | 0.91 | PTGS2 (0.55) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL8081775 | 0.90 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL4211457 | 0.90 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL8075229 | 0.90 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL7112854 | 0.88 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL8096839 | 0.84 | PTGS2 (0.53) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL7000289 | 0.82 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL8067207 | 0.81 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL6994862 | 0.78 | PTGS2 (0.53) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL8081774 | 0.78 | PTGS2 (0.54) | PTGS2PTGS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6133292-A | NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA | MERCK FROSST CANADA & CO. (CA) | 2000-10-17 | — | — | US | claimed |
| EP-1028951-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2000-08-23 | — | — | EP | claimed |
| WO-1999023087-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1999-05-14 | — | — | WO | claimed |
| US-6133292-A | NON-STEROIDAL ANTIINFLAMMATORY DRUG, INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS, ANTICARCINOGENIC AGENTS, ANTIPYRETICS; ANALGESICS; SIDE EFFECT REDUCTION; PREVENT THE SYNTHESIS OF CONTRACTILE PROSTANOIDS, DYSMENORRHEA, ASTHMA | MERCK FROSST CANADA & CO. (CA) | 2000-10-17 | — | — | US | disclosed |
| EP-1028951-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999023087-A1 | DIARYL-5-ALKYL-5-METHYL-2(5H)-FURANONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1999-05-14 | — | — | WO | disclosed |