Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098676 | 0.90 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL6991511 | 0.88 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL8080224 | 0.88 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL6990094 | 0.88 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL8080218 | 0.85 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL7839456 | 0.84 | PTGS2 (0.70) | PTGS2PTGS1 | |
| SCHEMBL8188201 | 0.82 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL213125 | 0.82 | PTGS2 (0.80) | PTGS2PTGS1 | |
| SCHEMBL8081660 | 0.81 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL7001779 | 0.80 | PTGS2 (0.54) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |