Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8125071 | 1.00 | PTGS2 (0.50) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL7844135 | 0.83 | PTGS2 (0.57) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL7829898 | 0.82 | PTGS2 (0.50) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL7876457 | 0.77 | PLK1 (0.41) | AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL8092899 | 0.77 | PTGS2 (0.57) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL7876452 | 0.77 | PLK1 (0.41) | AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL4030635 | 0.77 | PTGS2 (0.62) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL6050635 | 0.77 | CES2 (0.64) | PTGS2AKR1C2AKR1C1AKR1C3FAAH | |
| SCHEMBL7625386 | 0.76 | PTGS2 (0.54) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 | |
| SCHEMBL7625379 | 0.76 | PTGS2 (0.54) | PTGS2AKR1C2AKR1C1AKR1C3ESR2 |
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 |