Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL219912 | 0.89 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL30391007 | 0.86 | PTK2 (0.39) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL19884912 | 0.86 | PTK2 (0.39) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL19001649 | 0.78 | CA1 (0.31) | CA1CA2CA9CA3 | |
| SCHEMBL5517381 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL21834381 | 0.77 | GAA (0.50) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL27728516 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL21834387 | 0.77 | ALDH1A1 (0.35) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL13331358 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CA1CA2CA9CA3 | |
| SCHEMBL26512765 | 0.77 | CYP3A4 (0.46) | ALDH1A1CA1CA2CA9CA3 |
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-112771042-A | Nalidinone and pyridylpyrimidinone compounds as protein kinase inhibitors | 重庆复创医药研究有限公司 | 2021-05-07 | — | — | CN | disclosed |