Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.61 |
| ▸ | CA1 | P00915 | 6/20 | 0.56 |
| ▸ | CA2 | P00918 | 6/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13333580 | 0.86 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL5698465 | 0.86 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL6260416 | 0.86 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CHRNA7 | |
| SCHEMBL8953896 | 0.86 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL24393514 | 0.85 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL1629677 | 0.81 | PTGS2 (0.47) | PTGS2PTGS1CA1CA2CHRNA7 | |
| SCHEMBL27500961 | 0.79 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CHRNA7 | |
| SCHEMBL8188090 | 0.78 | CA2 (0.43) | PTGS2PTGS1CA1CA2CHRNA7 | |
| SCHEMBL8175874 | 0.78 | PTGS2 (0.66) | PTGS2PTGS1 | |
| SCHEMBL8119339 | 0.78 | PTGS2 (0.88) | PTGS2PTGS1CA1CA2CHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206474-A1 | SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS | ABBOTT LABORATORIES (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001016138-A1 | SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS | ABBOTT LABORATORIES (US) | 2001-03-08 | — | — | WO | disclosed |