Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.44 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 7/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5848831 | 0.87 | PTGS2 (0.48) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5848006 | 0.82 | CA2 (0.46) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5848638 | 0.80 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL5849859 | 0.80 | PTGS2 (0.57) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5849708 | 0.80 | PTGS2 (0.56) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5848610 | 0.79 | PTGS2 (0.52) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5849885 | 0.78 | PTGS2 (0.46) | PTGS2CA2CA9CA12CA1 | |
| SCHEMBL5850167 | 0.76 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL5850039 | 0.76 | PTGS2 (0.55) | PTGS2PTGS1 | |
| SCHEMBL5848723 | 0.74 | PTGS2 (0.47) | PTGS2CA2CA9CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7112605-B2 | Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof | Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) | 2006-09-26 | — | — | US | claimed |