Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.73 |
| ▸ | CA1 | P00915 | 6/20 | 0.73 |
| ▸ | CA2 | P00918 | 6/20 | 0.73 |
| ▸ | CA9 | Q16790 | 6/20 | 0.73 |
| ▸ | CA6 | P23280 | 5/20 | 0.73 |
| ▸ | CA7 | P43166 | 5/20 | 0.73 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.73 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.73 |
| ▸ | CISD1 | Q9NZ45 | 4/20 | 0.73 |
| ▸ | CA5A | P35218 | 4/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | HTR1A | P08908 | 1/20 | 0.73 |
| ▸ | CA4 | P22748 | 1/20 | 0.73 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.73 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.73 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.73 |
| ▸ | APP | P05067 | 9/20 | 0.65 |
| ▸ | AQP1 | P29972 | 1/20 | 0.60 |
| ▸ | TEX264 | Q9Y6I9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL231261 | 0.90 | CA12 (0.73) | CA12CA1CA2CA9CA6 | |
| SCHEMBL230392 | 0.90 | APP (0.79) | CA12CA1CA2CA9CA6 | |
| SCHEMBL229243 | 0.87 | CA1 (0.74) | CA12CA1CA2CA9CA6 | |
| SCHEMBL22260539 | 0.87 | CA12 (0.74) | CA12CA1CA2CA9CA6 | |
| SCHEMBL28793862 | 0.86 | CISD1 (0.73) | CA12CA1CA2CA9CA6 | |
| SCHEMBL2949798 | 0.86 | CA12 (0.76) | CA12CA1CA2CA9CA6 | |
| SCHEMBL16380456 | 0.86 | CA12 (0.82) | CA12CA1CA2CA9CA6 | |
| SCHEMBL22971339 | 0.85 | CISD1 (0.74) | CA12CA1CA2CA9CA6 | |
| SCHEMBL17000509 | 0.85 | CA12 (0.71) | CA12CA1CA2CA9CA6 | |
| SCHEMBL22971195 | 0.85 | CISD1 (0.74) | CA12CA1CA2CA9CA6 |
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-1668008-A4 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1668008-A2 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005023183-A2 | NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-03-17 | — | — | WO | disclosed |