Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 15/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744935 | 0.88 | PTGS2 (0.36) | CASP1PTGS2PTGS1KIF11 | |
| SCHEMBL6750004 | 0.88 | PTGS2 (0.46) | CASP1PTGS2PTGS1KIF11 | |
| SCHEMBL6749879 | 0.88 | CASP1 (0.40) | CASP1PTGS2PTGS1CCR2 | |
| SCHEMBL6743712 | 0.88 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL6746753 | 0.87 | PTGS2 (0.45) | CASP1PTGS2PTGS1KIF11 | |
| SCHEMBL6745050 | 0.86 | PTGS2 (0.42) | CASP1PTGS2PTGS1 | |
| SCHEMBL6745120 | 0.85 | ACLY (0.35) | CASP1PTGS2PTGS1HTT | |
| SCHEMBL6743237 | 0.85 | PTGS2 (0.38) | CASP1PTGS2PTGS1HTTCCR2 | |
| SCHEMBL6747309 | 0.84 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL6746211 | 0.83 | PTGS2 (0.50) | CASP1PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | claimed |
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | disclosed |