Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28623183 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL28623181 | 0.85 | CYP3A4 (0.47) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL22231122 | 0.83 | MAPT (0.50) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL22230860 | 0.82 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL22231438 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL22231184 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL28626774 | 0.80 | CYP3A4 (0.44) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL22231559 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MAPTHPGDCYP3A4KDM4E | |
| SCHEMBL28920731 | 0.80 | CYP1A1 (0.56) | ALDH1A1MAPTHPGDCYP3A4CYP1A1 | |
| SCHEMBL22231185 | 0.79 | MAPT (0.46) | ALDH1A1MAPTHPGDCYP3A4KDM4E |
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 |