Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14058837 | 0.82 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14058988 | 0.80 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16370572 | 0.79 | ATAD2 (0.44) | ALDH1A1MAPTMAPK1KDM4EGAA | |
| SCHEMBL14149589 | 0.78 | CA12 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14626050 | 0.78 | CA1 (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9901142 | 0.76 | HDAC1 (0.43) | ROCK1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14059292 | 0.76 | HRH3 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14149894 | 0.76 | CA1 (0.51) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28865545 | 0.76 | MGAT2 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1867023 | 0.74 | MAPT (0.45) | ROCK1ALDH1A1MAPTMAPK1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563761-A1 | ACTIVATORS OF HUMAN PYRUVATE KINASE | The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011137089-A1 | ACTIVATORS OF HUMAN PYRUVATE KINASE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-11-03 | — | — | WO | disclosed |