Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31474094 | 0.79 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8383960 | 0.79 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12035936 | 0.77 | POLB (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29116976 | 0.77 | CA12 (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31474037 | 0.75 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23501047 | 0.74 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17128930 | 0.74 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7502756 | 0.74 | ABL1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL522062 | 0.73 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4235293 | 0.73 | CA1 (0.57) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025061148-A1 | HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2025-03-27 | — | — | WO | disclosed |