Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.81 |
| ▸ | GCGR | P47871 | 4/20 | 0.78 |
| ▸ | MPO | P05164 | 1/20 | 0.77 |
| ▸ | NT5E | P21589 | 1/20 | 0.77 |
| ▸ | CA12 | O43570 | 1/20 | 0.76 |
| ▸ | CA1 | P00915 | 1/20 | 0.76 |
| ▸ | CA2 | P00918 | 1/20 | 0.76 |
| ▸ | CA9 | Q16790 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.76 |
| ▸ | MEN1 | O00255 | 4/20 | 0.76 |
| ▸ | POLB | P06746 | 6/20 | 0.75 |
| ▸ | MAPT | P10636 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.70 |
| ▸ | AHR | P35869 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521274 | 0.95 | GAA (0.77) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL28515502 | 0.92 | GAA (0.81) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL28521660 | 0.92 | GCGR (0.78) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL18642551 | 0.91 | GAA (0.80) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL18642552 | 0.91 | GAA (0.80) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL2542993 | 0.91 | GAA (0.80) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL28520360 | 0.90 | GAA (0.77) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL28521911 | 0.90 | GAA (0.77) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL11157751 | 0.90 | GAA (1.00) | GAAKDM4EGCGRMPONT5E | |
| SCHEMBL2663644 | 0.89 | GCGR (0.74) | GAAKDM4EGCGRKMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079744-B | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2021-07-30 | — | — | CN | claimed |
| 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 |