Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21614392 | 1.00 | CA3 (0.40) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL27047975 | 0.83 | CA3 (0.35) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL19001649 | 0.78 | CA1 (0.31) | CA3CA9CA1CA2 | |
| SCHEMBL5511692 | 0.78 | CA9 (0.50) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL23706706 | 0.77 | CA3 (0.36) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL7665669 | 0.77 | TSHR (0.46) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL2914174 | 0.77 | KDM4E (0.42) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL27728509 | 0.77 | ALDH1A1 (0.37) | CA3CA9CA6CA5ACA14 | |
| SCHEMBL2934814 | 0.76 | GPR84 (0.31) | CA3CA9CA1CA2 | |
| SCHEMBL318772 | 0.76 | CA9 (0.48) | CA3CA9CA6CA5ACA14 |
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-113831337-B | GLP-1 receptor agonist, and pharmaceutical composition and use thereof | 广州市恒诺康医药科技有限公司 | 2023-03-24 | — | — | CN | disclosed |