Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622260 | 1.00 | CA2 (0.36) | CA2CA12CA1CA9KDM4E | |
| SCHEMBL30622181 | 0.82 | SMN1; SMN2 (0.40) | KDM4EALDH1A1HPGDL3MBTL1LMNA | |
| SCHEMBL29133009 | 0.82 | SMN1; SMN2 (0.40) | KDM4EALDH1A1HPGDL3MBTL1LMNA | |
| SCHEMBL30622191 | 0.81 | NPC1 (0.41) | KDM4EALDH1A1HPGDL3MBTL1LMNA | |
| SCHEMBL29133137 | 0.81 | NPC1 (0.41) | KDM4EALDH1A1HPGDL3MBTL1LMNA | |
| SCHEMBL30622188 | 0.80 | ALDH1A1 (0.39) | CA2CA1KDM4EALDH1A1MAPT | |
| SCHEMBL29133172 | 0.80 | ALDH1A1 (0.39) | CA2CA1KDM4EALDH1A1MAPT | |
| SCHEMBL30622243 | 0.79 | BRD4 (0.36) | CA2CA12CA1CA9LMNA | |
| SCHEMBL29133047 | 0.79 | BRD4 (0.36) | CA2CA12CA1CA9LMNA | |
| SCHEMBL29133000 | 0.78 | ALOX5AP (0.46) | CA2CA12CA1CA9KDM4E |
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 |