Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8474199 | 0.87 | PTGS2 (0.42) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL6170654 | 0.82 | PTGS2 (0.55) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL8474198 | 0.81 | PTGS2 (0.41) | PTGS2PTGS1CA1 | |
| SCHEMBL6170119 | 0.80 | PTGS2 (0.53) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL6170018 | 0.78 | PTGS2 (0.52) | PTGS2PTGS1CDK2 | |
| SCHEMBL4888565 | 0.77 | PTGS2 (0.67) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL6169938 | 0.77 | PTGS2 (0.58) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL6168801 | 0.77 | PTGS2 (0.55) | PTGS2PTGS1CDK2 | |
| SCHEMBL6168516 | 0.77 | PTGS2 (0.55) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL6171523 | 0.76 | PTGS2 (0.54) | PTGS2PTGS1CDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1528059-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle LLC (US) | 2005-05-04 | — | — | EP | disclosed |
| EP-1223167-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle & Co. (US) | 2002-07-17 | — | — | EP | disclosed |
| US-5985902-A | TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS | G.D. SEARLE & CO. (US) | 1999-11-16 | — | — | US | disclosed |