Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497759 | 0.76 | POLB (0.34) | PTGS2PTGS1ALDH1A1CYP1A2POLB | |
| SCHEMBL9501638 | 0.76 | PTGS2 (0.31) | PTGS2PTGS1 | |
| SCHEMBL4588152 | 0.74 | PTGS2 (0.35) | PTGS2ALDH1A1 | |
| Fumaric Acid SCHEMBL9795237 | 0.70 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL18243623 | 0.70 | — | — | |
| SCHEMBL287823 | 0.69 | — | — | |
| SCHEMBL4586469 | 0.69 | PTGS2 (0.37) | PTGS2PTGS1ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL12707415 | 0.69 | MEN1 (0.46) | ALDH1A1POLB | |
| SCHEMBL6231951 | 0.67 | SLC1A3 (0.37) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL2010166 | 0.67 | MEN1 (0.43) | PTGS2PTGS1ALDH1A1POLBSMN1; SMN2 |
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-1692107-A4 | NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-10-29 | — | — | EP | disclosed |
| EP-1692107-A2 | NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005060603-A2 | NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-07-07 | — | — | WO | disclosed |