Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | TTPA | P49638 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17768307 | 1.00 | CA12 (0.47) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16914691 | 0.98 | CA12 (0.49) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16914733 | 0.93 | CA12 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16914783 | 0.88 | CA12 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4047297 | 0.88 | CA12 (0.47) | CA12CA1CA2CA4CA9 | |
| SCHEMBL3922804 | 0.88 | PTGS2 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL6150841 | 0.85 | CA12 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL6152187 | 0.85 | CA12 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16914743 | 0.84 | CA12 (0.40) | CA12CA1CA2CA4CA9 | |
| SCHEMBL22517795 | 0.84 | PTGS2 (0.40) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1527045-A1 | NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004011421-A1 | NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2004-02-05 | — | — | WO | disclosed |