Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | CCKAR | P32238 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL4587980 | 0.78 | PTGS2 (0.37) | PTGS2PTGS1CYP1A2ALDH1A1KMT2A | |
| SCHEMBL5278808 | 0.73 | MEN1 (0.40) | CYP1A2CYP2C19ALDH1A1KMT2AMEN1 | |
| SCHEMBL4585809 | 0.71 | PTGS2 (0.48) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL4587179 | 0.69 | PTGS2 (0.37) | PTGS2PTGS1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL4847471 | 0.68 | ALDH1A1 (0.35) | PTGS2PTGS1CYP1A2CYP2C19GAA | |
| SCHEMBL30818291 | 0.68 | GAA (0.48) | GAAALDH1A1KMT2AHPGDMMP2 | |
| SCHEMBL60370 | 0.65 | GAA (0.62) | GAAKMT2AMMP9MMP8KEAP1 | |
| SCHEMBL60371 | 0.65 | GAA (0.62) | GAAKMT2AMMP9MMP8KEAP1 | |
| SCHEMBL4587072 | 0.64 | MAPT (0.38) | PTGS2ALDH1A1 | |
| SCHEMBL2235690 | 0.64 | ALDH1A1 (0.44) | GAAALDH1A1KMT2AMEN1HPGD |
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 | claimed |
| EP-1692107-A2 | NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2006-08-23 | — | — | EP | claimed |
| WO-2005060603-A2 | NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2005-07-07 | — | — | WO | claimed |