Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30526847 | 0.88 | CA2 (0.32) | CA2CHKA | |
| SCHEMBL29634837 | 0.84 | CA2 (0.31) | CA2CHKA | |
| SCHEMBL4129579 | 0.81 | CA2 (0.33) | CA2CHKAALDH1A1 | |
| SCHEMBL1919225 | 0.79 | CA2 (0.43) | CA2CHKAALDH1A1 | |
| SCHEMBL3466500 | 0.79 | CA2 (0.43) | CA2CHKAALDH1A1 | |
| SCHEMBL7458218 | 0.77 | — | — | |
| SCHEMBL29101965 | 0.74 | — | — | |
| SCHEMBL11274567 | 0.71 | — | — | |
| SCHEMBL14335568 | 0.71 | TSHR (0.37) | ALDH1A1 | |
| SCHEMBL9174365 | 0.69 | CYP1A2 (0.33) | CA2CHKA |
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-2023222005-A1 | AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海翊石医药科技有限公司 | 2023-11-23 | — | — | WO | disclosed |