Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28611597 | 0.90 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL22231470 | 0.88 | ALDH1A1 (0.39) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28619682 | 0.87 | HPGD (0.46) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28609024 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL22244991 | 0.83 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28921548 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28608392 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28623182 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL22244946 | 0.80 | HPGD (0.35) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL22244947 | 0.80 | HPGD (0.35) | ALDH1A1HPGDCYP3A4MAPTKDM4E |
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 |