Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL22244939 | 1.00 | HPGD (0.39) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL22245064 | 0.93 | HPGD (0.39) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL22245058 | 0.93 | HPGD (0.39) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL22245245 | 0.93 | HPGD (0.40) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL21801124 | 0.89 | SIGMAR1 (0.37) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL22245085 | 0.88 | ALDH1A1 (0.42) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL25097878 | 0.87 | HPGD (0.40) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL21822554 | 0.87 | HPGD (0.38) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL21822684 | 0.87 | HPGD (0.40) | HPGDKDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL22230925 | 0.86 | HPGD (0.39) | HPGDKDM4EALDH1A1CYP3A4MAPT |
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-113301959-A | Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2021-08-24 | — | — | CN | disclosed |