Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL6150839 | 0.95 | SMPD1 (0.41) | CA2CA1ALDH1A1SMPD1CES2 | |
| SCHEMBL6152192 | 0.87 | CA2 (0.37) | CA2CA1ALDH1A1MAPK1SMPD1 | |
| SCHEMBL9951290 | 0.84 | ALDH1A1 (0.42) | CA2CA1ALDH1A1MAPK1SMPD1 | |
| SCHEMBL6150843 | 0.82 | SMPD1 (0.40) | CA2CA1SMPD1 | |
| SCHEMBL3651798 | 0.81 | SMPD1 (0.42) | CA2CA1ALDH1A1SMPD1 | |
| SCHEMBL11300347 | 0.76 | CA2 (0.37) | CA2CA1ALDH1A1MAPK1CES2 | |
| SCHEMBL1042135 | 0.74 | CA2 (0.42) | CA2CA1ALDH1A1MAPK1 | |
| SCHEMBL3292096 | 0.74 | ALDH1A1 (0.41) | CA2CA1ALDH1A1MAPK1 | |
| SCHEMBL5556311 | 0.73 | TDP1 (0.34) | — | |
| SCHEMBL6014859 | 0.72 | ALDH1A1 (0.39) | CA2CA1ALDH1A1 |
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 |