Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA2 | P00918 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | AXL | P30530 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21513609 | 0.84 | CA12 (0.49) | CA1CA2CA12CA9AXL | |
| SCHEMBL29135647 | 0.83 | SSTR4 (0.41) | — | |
| SCHEMBL23020273 | 0.83 | CA12 (0.46) | CA1CA2CA12CA9AXL | |
| SCHEMBL29293585 | 0.82 | SCN9A (0.48) | CA1CA2CA12CA9AXL | |
| SCHEMBL29135644 | 0.80 | MKNK2 (0.44) | NQO2 | |
| SCHEMBL30786834 | 0.80 | AAK1 (0.44) | — | |
| SCHEMBL29135633 | 0.80 | AAK1 (0.44) | — | |
| SCHEMBL29135641 | 0.80 | MKNK2 (0.44) | NQO2 | |
| SCHEMBL28963091 | 0.80 | SCN9A (0.47) | CA1CA2CA12CA9AXL | |
| SCHEMBL16946788 | 0.79 | SCN9A (0.46) | CA1CA2CA12CA9AXL |
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-117229295-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-12-15 | — | — | CN | disclosed |