Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 8/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1204783 | 0.81 | HCAR2 (0.46) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL1206441 | 0.79 | HCAR2 (0.44) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL12740609 | 0.79 | HCAR2 (0.48) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL12775840 | 0.76 | HCAR2 (0.42) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL1205832 | 0.75 | HCAR2 (0.41) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL24622013 | 0.73 | HPGD (0.44) | HCAR2HCAR3TP53MAPTKDM5A | |
| SCHEMBL27670323 | 0.71 | — | — | |
| SCHEMBL24622014 | 0.71 | KCNH2 (0.43) | HCAR2HCAR3TP53MAPTKDM5A | |
| SCHEMBL28089341 | 0.69 | HCAR2 (0.39) | HCAR2HCAR3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL24622011 | 0.69 | NOS3 (0.43) | HCAR2HCAR3TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661043-A | 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives | 豪夫迈·罗氏有限公司 | 2017-05-10 | — | — | CN | disclosed |