Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8023493 | 0.91 | PTGS2 (0.70) | PTGS2CYP2C9CA1CA2CA9 | |
| SCHEMBL8032782 | 0.89 | PTGS2 (0.60) | PTGS2CYP2C9CA1CA2CA9 | |
| SCHEMBL8033564 | 0.88 | PTGS2 (0.73) | PTGS2CA1CA2CA9 | |
| SCHEMBL8035500 | 0.88 | PTGS2 (0.58) | PTGS2CYP2C9CA1CA2CA9 | |
| SCHEMBL8023278 | 0.87 | PTGS2 (0.72) | PTGS2CA1CA2CA9 | |
| SCHEMBL8033346 | 0.86 | PTGS2 (0.56) | PTGS2CYP2C9 | |
| SCHEMBL8033327 | 0.85 | PTGS2 (0.69) | PTGS2CA1CA2CA9 | |
| SCHEMBL8023242 | 0.84 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL8032931 | 0.84 | PTGS2 (0.71) | PTGS2CA1CA2CA9 | |
| SCHEMBL2151014 | 0.83 | PTGS2 (0.63) | PTGS2CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | claimed |
| WO-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |