Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 4/20 | 0.40 |
| ▸ | DOHH | Q9BU89 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | COMT | P21964 | 7/20 | 0.39 |
| ▸ | KDM6A | O15550 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Xylitol SCHEMBL6955597 | 0.87 | CA12 (0.44) | CA12CA1CA2CA9TYR | |
| SCHEMBL1768217 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL13386456 | 0.83 | CA12 (0.57) | CA12CA1CA2CA9TYR | |
| Glycerin SCHEMBL6953612 | 0.71 | MAPK14 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL8092801 | 0.68 | CA12 (0.44) | CA12CA1CA2CA9TYR | |
| SCHEMBL10924548 | 0.66 | TYR (0.50) | CA12CA1CA2CA9TYR | |
| SCHEMBL7640934 | 0.64 | TYR (0.53) | CA12CA1CA2CA9TYR | |
| SCHEMBL10919191 | 0.64 | COMT (0.44) | CA1CA2CA9TYRDOHH | |
| SCHEMBL10613124 | 0.64 | TYR (0.61) | CA12CA1CA2CA9TYR | |
| SCHEMBL15417770 | 0.63 | CA12 (0.47) | CA12CA1CA2CA9DOHH |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021457-B1 | METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONES DERIVATIVES FROM AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS | ISTITUTO BIOCHIMICO PAVESE PHA (IT) | 2003-04-09 | — | — | EP | disclosed |