Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7818627 | 0.84 | AKR1C3 (0.44) | PTGS2PTGS1AKR1C3 | |
| SCHEMBL7520699 | 0.84 | PTGS2 (0.47) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL3540663 | 0.82 | IDO1 (0.41) | — | |
| SCHEMBL444872 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL27483451 | 0.79 | PTGS2 (0.46) | PTGS2PTGS1EPHX2AKR1C2AKR1C1 | |
| SCHEMBL27431696 | 0.79 | PTGS2 (0.46) | PTGS2PTGS1EPHX2AKR1C2AKR1C1 | |
| Water SCHEMBL27918427 | 0.78 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL3907273 | 0.77 | ACHE (0.54) | PTGS1 | |
| SCHEMBL322720 | 0.76 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL1515692 | 0.75 | ALDH1A1 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404330-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003002118-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-01-09 | — | — | WO | disclosed |
| EP-0778834-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1997-06-18 | — | — | EP | disclosed |
| EP-0772606-A1 | SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| EP-0739340-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-10-30 | — | — | EP | disclosed |
| WO-1996006840-A1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC. (CA) | 1996-03-07 | — | — | WO | disclosed |
| WO-1996003392-A1 | SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |