Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480062 | 0.87 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL8192883 | 0.86 | PSIP1 (0.45) | PTGS2PTGS1 | |
| SCHEMBL7490068 | 0.84 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL7482387 | 0.82 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL7566114 | 0.78 | PTGS2 (0.86) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL8172923 | 0.76 | PTGS2 (0.47) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL5698518 | 0.75 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7933642 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL31059231 | 0.73 | FGF23 (0.40) | PTGS2ALDH1A1 | |
| SCHEMBL31059234 | 0.73 | FGF23 (0.40) | PTGS2ALDH1A1 |
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-0904269-B1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-01-23 | — | — | EP | claimed |
| US-6057319-A | CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2000-05-02 | — | — | US | claimed |
| EP-0904269-B1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-01-23 | — | — | EP | disclosed |
| US-6057319-A | CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2000-05-02 | — | — | US | disclosed |
| US-5698584-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1997-12-16 | — | — | US | disclosed |