Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.32 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL29289892 | 1.00 | GAA (0.41) | GAAPKMCSNK2A1CA12CA1 | |
| SCHEMBL29289652 | 0.85 | GAA (0.41) | GAAPKMCSNK2A1CA12CA1 | |
| SCHEMBL20300390 | 0.81 | CHEK1 (0.38) | CA12CA1CA2CA3CA4 | |
| SCHEMBL30503673 | 0.81 | CHEK1 (0.38) | CA12CA1CA2CA3CA4 | |
| SCHEMBL30459796 | 0.81 | — | — | |
| SCHEMBL1162921 | 0.75 | NPC1 (0.41) | GAACSNK2A1CA12CA9 | |
| SCHEMBL30851303 | 0.74 | CACNA1G (0.31) | — | |
| SCHEMBL15284506 | 0.71 | CA1 (0.38) | CA1CA2CA7CA9 | |
| SCHEMBL31098477 | 0.71 | ESR2 (0.45) | CA1CA2CA7CA9 | |
| SCHEMBL18939906 | 0.71 | — | — |
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-113563245-B | Substituted pyrrolidines and their use in medicine | 广东东阳光药业股份有限公司 | 2024-10-15 | — | — | CN | disclosed |