Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 6/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 6/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28608394 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28921550 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28623183 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28619683 | 0.85 | HPGD (0.47) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28618473 | 0.84 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28610883 | 0.82 | HPGD (0.40) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28610274 | 0.81 | KDM4E (0.39) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28609024 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL22230849 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP3A4MAPTKDM4E | |
| SCHEMBL28611599 | 0.80 | ALDH1A1 (0.39) | 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 |