Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865746 | 0.90 | CSNK2A2 (0.44) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21886510 | 0.89 | ABCC1 (0.47) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL30744120 | 0.84 | ABCC1 (0.57) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21801140 | 0.84 | ABCC1 (0.57) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21801217 | 0.83 | SIGMAR1 (0.39) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21801254 | 0.83 | SIGMAR1 (0.39) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21801153 | 0.83 | ABCB1 (0.53) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 | |
| SCHEMBL21801111 | 0.80 | CYP1B1 (0.54) | CYP1B1CYP1A1CYP1A2CSNK2A2CSNK2B | |
| SCHEMBL30744127 | 0.80 | CYP1B1 (0.54) | CYP1B1CYP1A1CYP1A2CSNK2A2CSNK2B | |
| SCHEMBL21801308 | 0.80 | ABCB1 (0.52) | CYP1B1CYP1A1CYP1A2ABCC1ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020053249-A1 | FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-03-19 | — | — | WO | disclosed |