Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28433779 | 0.84 | HTR6 (0.39) | CA12CA2CA1CA9 | |
| SCHEMBL5821011 | 0.81 | MMP2 (0.33) | CA2CA1 | |
| SCHEMBL27828787 | 0.81 | DRD2 (0.40) | CA12CA2CA1CA9 | |
| SCHEMBL10781545 | 0.81 | MAPT (0.44) | — | |
| SCHEMBL14775611 | 0.81 | HTR6 (0.37) | CA12CA2CA1CA9 | |
| SCHEMBL4771959 | 0.81 | GLA (0.35) | CA2 | |
| SCHEMBL6422590 | 0.80 | SLC6A2 (0.38) | — | |
| SCHEMBL28246223 | 0.78 | CTSC (0.39) | CA12CA2CA1CA9 | |
| SCHEMBL3866888 | 0.78 | DRD2 (0.34) | — | |
| SCHEMBL28425430 | 0.77 | CA2 (0.40) | CA12CA2CA1CA9 |
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-109311882-A | adenine derivatives as protein kinase inhibitors | BCI制药公司 | 2019-02-05 | — | — | CN | disclosed |