Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29212287 | 0.78 | MAOA (0.36) | CA12CA1CA2CA9MAOA | |
| SCHEMBL25033661 | 0.75 | CA12 (0.35) | CA12CA1CA2CA9ADRA1A | |
| SCHEMBL30184522 | 0.75 | CA12 (0.35) | CA12CA1CA2CA9ADRA1A | |
| SCHEMBL29212402 | 0.75 | ALDH1A1 (0.35) | MAOAALDH1A1 | |
| SCHEMBL29212426 | 0.73 | ALDH1A1 (0.34) | MAOBALDH1A1 | |
| SCHEMBL29212406 | 0.73 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29212361 | 0.71 | — | — | |
| SCHEMBL29212272 | 0.70 | CLCN2 (0.30) | — | |
| SCHEMBL29212418 | 0.69 | CA12 (0.53) | CA12CA1CA2CA9MAOA | |
| SCHEMBL23143891 | 0.68 | CA12 (0.49) | 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 |