Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL3 | P58215 | 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 | 0.85 | GAA (0.41) | GAAPKMCA12CA1CA2 | |
| SCHEMBL31098567 | 0.85 | GAA (0.41) | GAAPKMCA12CA1CA2 | |
| SCHEMBL29024953 | 0.81 | CA12 (0.35) | CA12CA1CA2CA3CA4 | |
| SCHEMBL21715527 | 0.72 | TDP2 (0.43) | — | |
| SCHEMBL30740450 | 0.69 | AR (0.39) | PDPK1 | |
| SCHEMBL21573719 | 0.67 | NPC1 (0.55) | GAAPKMCA12CA1CA2 | |
| SCHEMBL15889108 | 0.67 | PPOX (0.50) | GAAPKMPDPK1 | |
| SCHEMBL21715511 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL30740688 | 0.67 | TDP2 (0.46) | GAACA12CA1CA2CA4 | |
| SCHEMBL20300390 | 0.67 | CHEK1 (0.38) | CA12CA1CA2CA3CA4 |
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 2 patents. 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 |
| CN-113563245-A | Substituted pyrrolidine compounds and application thereof in medicines | 广东东阳光药业有限公司 | 2021-10-29 | — | — | CN | disclosed |