Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAG1 | P54619 | 2/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GALK1 | P51570 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2530125 | 0.87 | PYGL (0.43) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2567515 | 0.84 | KDM4E (0.37) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2529433 | 0.84 | PRKAG1 (0.46) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2577051 | 0.83 | ALDH1A1 (0.40) | ALOX15ALDH1A1MAPK14BCL6BCOR | |
| SCHEMBL2529993 | 0.80 | TSHR (0.39) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2529499 | 0.80 | CYP26A1 (0.36) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2533068 | 0.80 | PPARG (0.46) | HDAC3MAPK14 | |
| SCHEMBL2529403 | 0.79 | HDAC8 (0.40) | HDAC3ALDH1A1TSHR | |
| SCHEMBL2574754 | 0.79 | HCAR3 (0.35) | PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2 | |
| SCHEMBL2573957 | 0.79 | IDH1 (0.38) | CSNK2A1MAPK14 |
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-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |