Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 9/20 | 0.79 |
| ▸ | MAPT | P10636 | 7/20 | 0.79 |
| ▸ | POLB | P06746 | 3/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | CA9 | Q16790 | 1/20 | 0.71 |
| ▸ | MPO | P05164 | 1/20 | 0.69 |
| ▸ | NT5E | P21589 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | IKBKB | O14920 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515982 | 0.91 | MAPT (0.79) | GAAMAPTPOLBKDM4EMPO | |
| SCHEMBL28513870 | 0.91 | GAA (0.82) | GAAMAPTPOLBKDM4ECA12 | |
| SCHEMBL28517560 | 0.88 | MAPT (1.00) | GAAMAPTPOLBKDM4ECYP3A4 | |
| SCHEMBL28516030 | 0.87 | GAA (0.73) | GAAMAPTPOLBKDM4ECA12 | |
| SCHEMBL3970958 | 0.86 | MAPT (0.68) | GAAMAPTPOLBKDM4ECYP3A4 | |
| SCHEMBL14417610 | 0.86 | MAPT (0.68) | GAAMAPTPOLBKDM4ECYP3A4 | |
| SCHEMBL3970964 | 0.86 | MAPT (0.68) | GAAMAPTPOLBKDM4ECYP3A4 | |
| SCHEMBL28515502 | 0.86 | GAA (0.81) | GAAMAPTPOLBKDM4ECA12 | |
| SCHEMBL28515978 | 0.86 | GAA (0.81) | GAAMAPTPOLBKDM4ECA12 | |
| SCHEMBL28506872 | 0.85 | GAA (0.70) | GAAMAPTPOLBKDM4ECA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079744-A | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2020-12-15 | — | — | CN | claimed |
| CN-112079744-B | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-112079744-A | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2020-12-15 | — | — | CN | disclosed |