Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 8/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 8/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27116999 | 0.90 | ABCB1 (0.48) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22230957 | 0.88 | HPGD (0.46) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22230855 | 0.86 | CYP1A1 (0.52) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22230858 | 0.86 | CYP1A1 (0.52) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22231240 | 0.85 | ALDH1A1 (0.43) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22232972 | 0.84 | CYP1A1 (0.51) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22245255 | 0.84 | CYP1A1 (0.51) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22245265 | 0.84 | CYP1A1 (0.51) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22231935 | 0.83 | CSNK2A2 (0.38) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL22231220 | 0.82 | MAPT (0.38) | CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1 |
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-3911413-A1 | SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-11-24 | — | — | EP | disclosed |
| WO-2020148354-A1 | SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-07-23 | — | — | WO | disclosed |