Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21958452 | 0.86 | LRRK2 (0.48) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL15651102 | 0.84 | LRRK2 (0.47) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL23997107 | 0.81 | LRRK2 (0.45) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL23997032 | 0.81 | LRRK2 (0.48) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29133190 | 0.80 | BRD4 (0.36) | LRRK2BRD4CA12CA1CA2 | |
| SCHEMBL29133171 | 0.79 | TP53 (0.42) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29132966 | 0.75 | CA2 (0.36) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL30622260 | 0.75 | CA2 (0.36) | LRRK2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL15272014 | 0.74 | KDM4E (0.52) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL30622155 | 0.74 | KDM4E (0.52) | ALDH1A1KDM4EHPGDHSD17B10MAPT |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |