Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 8/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586798 | 0.87 | FFAR1 (0.41) | CA1CA2FFAR1GAARAB9A | |
| SCHEMBL22227473 | 0.83 | CA2 (0.48) | CA1CA2CA12CA4CA9 | |
| SCHEMBL186313 | 0.77 | CA12 (0.56) | CA1CA2CA12CA4CA9 | |
| SCHEMBL220304 | 0.77 | CA2 (0.53) | CA1CA2CA12CA4CA9 | |
| SCHEMBL9747544 | 0.76 | ESR1 (0.54) | CA2FFAR1GAA | |
| SCHEMBL4128246 | 0.76 | CA2 (0.50) | CA1CA2CA12CA4CA9 | |
| SCHEMBL5155604 | 0.74 | CA12 (0.49) | CA1CA2CA12CA4CA9 | |
| SCHEMBL156310 | 0.74 | TSHR (0.48) | CA1CA2CA12CA4CA9 | |
| SCHEMBL186786 | 0.74 | CA12 (0.56) | CA1CA2CA12CA4CA9 | |
| Methyl Alcohol SCHEMBL7290164 | 0.73 | TMEM97 (0.47) | CA1CA2CA12CA4CA9 |
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 |