Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7869531 | 0.84 | PTGS2 (0.53) | PTGS2PTGS1KDM4EMT-CO1MT-CO2 | |
| SCHEMBL7869544 | 0.83 | L3MBTL1 (0.43) | PTGS2PTGS1KDM4E | |
| SCHEMBL7876450 | 0.77 | PTGS2 (0.52) | PTGS2PTGS1KDM4EMT-CO1MT-CO2 | |
| SCHEMBL6050705 | 0.77 | PTGS2 (0.52) | PTGS2PTGS1KDM4EMT-CO1MT-CO2 | |
| SCHEMBL9755841 | 0.74 | PTGS2 (0.47) | PTGS2PTGS1KDM4EMT-CO1MT-CO2 | |
| SCHEMBL5698503 | 0.74 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7874964 | 0.73 | L3MBTL1 (0.49) | KDM4EHPGDHSD17B10 | |
| SCHEMBL7876442 | 0.69 | L3MBTL1 (0.43) | — | |
| SCHEMBL6050740 | 0.69 | PTGS2 (0.61) | PTGS2PTGS1KDM4EMT-CO1MT-CO2 | |
| SCHEMBL6050737 | 0.68 | PTGS2 (0.56) | PTGS2PTGS1KDM4EMT-CO1MT-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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329421-B1 | PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-12-11 | — | — | US | disclosed |
| EP-0778834-B1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2000-01-26 | — | — | EP | disclosed |
| EP-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | disclosed |