Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 8/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.77 |
| ▸ | MPO | P05164 | 1/20 | 0.74 |
| ▸ | NT5E | P21589 | 1/20 | 0.74 |
| ▸ | CA12 | O43570 | 1/20 | 0.69 |
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | AHR | P35869 | 1/20 | 0.64 |
| ▸ | GCGR | P47871 | 3/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | GFER | P55789 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL21211567 | 0.92 | GAA (0.66) | GAAKDM4EMPONT5EPOLB | |
| SCHEMBL28521274 | 0.90 | GAA (0.77) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL28521911 | 0.90 | GAA (0.77) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL28515978 | 0.90 | GAA (0.81) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL21211497 | 0.88 | POLB (0.67) | GAAKDM4EMPONT5EPOLB | |
| SCHEMBL21211568 | 0.88 | POLB (0.64) | GAAKDM4EMPONT5EPOLB | |
| SCHEMBL26034327 | 0.88 | MPO (0.61) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL11157751 | 0.87 | GAA (1.00) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL28515502 | 0.87 | GAA (0.81) | GAAKDM4EMPONT5ECA12 | |
| SCHEMBL8299897 | 0.86 | MEN1 (0.73) | GAAKDM4EMPONT5EPOLB |
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 |