Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19642370 | 1.00 | KHK (0.43) | KHKUSP2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19642638 | 0.93 | USP2 (0.38) | KHKUSP2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29547484 | 0.93 | USP2 (0.38) | KHKUSP2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL21821240 | 0.83 | CYP3A4 (0.41) | USP2ALDH1A1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL21821241 | 0.82 | CYP3A4 (0.42) | USP2ALDH1A1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL29547500 | 0.80 | HTR6 (0.40) | KHKALDH1A1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL19642697 | 0.80 | HTR6 (0.40) | KHKALDH1A1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL19662320 | 0.79 | MAOA (0.39) | ALDH1A1CYP1A2CYP2D6CYP3A4TP53 | |
| SCHEMBL19642323 | 0.78 | MAOA (0.43) | ALDH1A1HSD17B10HTR1AHTR7HTR6 | |
| SCHEMBL19642409 | 0.78 | PARP1 (0.43) | USP2ALDH1A1CYP1A2CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311860-B | Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2022-04-08 | — | — | CN | claimed |
| CN-109311860-B | Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2022-04-08 | — | — | CN | disclosed |