Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | IDE | P14735 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23144126 | 0.83 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29812039 | 0.80 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23143891 | 0.80 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30871243 | 0.79 | CA1 (0.44) | CA12CA1CA2CA9ALDH3A1 | |
| SCHEMBL23144110 | 0.79 | PDK1 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23144748 | 0.77 | TOP2B (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31363348 | 0.75 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL23143977 | 0.75 | LRRK2 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25033217 | 0.75 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30184616 | 0.75 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 |
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-117813295-A | Compounds targeting p53 mutants | 北京加科思新药研发有限公司 | 2024-04-02 | — | — | CN | disclosed |