Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 14/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3560088 | 0.85 | ACLY (0.63) | ACLYPPARGPPARACA12CA2 | |
| SCHEMBL28017010 | 0.84 | ACLY (0.61) | ACLYPPARGPPARACA12CA2 | |
| SCHEMBL28111302 | 0.84 | KMT2A (0.56) | ACLYHRH3PDE4BCA12CA2 | |
| SCHEMBL28111778 | 0.80 | PPARG (0.46) | ACLYPPARGPPARAHRH3 | |
| SCHEMBL9555552 | 0.76 | ACLY (0.47) | ACLYPPARGPPARACYP19A1 | |
| SCHEMBL11662919 | 0.76 | KMT2A (0.68) | ACLYCYP19A1 | |
| SCHEMBL11657692 | 0.75 | GRIK2 (0.67) | ACLYCA12CA9 | |
| SCHEMBL14953597 | 0.74 | ACLY (0.60) | ACLYPPARGPPARACA12CA2 | |
| SCHEMBL28411702 | 0.74 | ACLY (0.60) | ACLYPPARGPPARACA12CA2 | |
| SCHEMBL14953618 | 0.74 | ACLY (0.61) | ACLYPPARGPPARACA12CA2 |
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-106179294-A | A kind of method that hydrotalcite catalyst economic benefits and social benefits catalyze and synthesize benzazolyl compounds | 山东师范大学 | 2016-12-07 | — | — | CN | disclosed |