Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6750091 | 0.87 | CASP1 (0.35) | PTGS2CASP1 | |
| SCHEMBL6745120 | 0.87 | ACLY (0.35) | PTGS2CASP1ALDH1A1MEN1RAB9A | |
| SCHEMBL6744935 | 0.87 | PTGS2 (0.36) | PTGS2CASP1CA2CA9 | |
| SCHEMBL6746349 | 0.86 | PTGS2 (0.41) | PTGS2CASP1 | |
| SCHEMBL6745114 | 0.85 | SDHB (0.38) | PTGS2CASP1CA1CA2GALR1 | |
| SCHEMBL6743237 | 0.84 | PTGS2 (0.38) | PTGS2CASP1MEN1RAB9AKMT2A | |
| SCHEMBL6747363 | 0.82 | PTGS2 (0.33) | PTGS2CASP1 | |
| SCHEMBL6749791 | 0.82 | PTGS2 (0.40) | PTGS2IKBKBALDH1A1CA1CA2 | |
| SCHEMBL6743712 | 0.81 | PTGS2 (0.44) | PTGS2CYP1A2HPGD | |
| SCHEMBL6750004 | 0.81 | PTGS2 (0.46) | PTGS2CASP1 |
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 |