Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 5/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
| ▸ | UGCG | Q16739 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133047 | 1.00 | BRD4 (0.36) | BRD4NPC1RAB9ACA12CA1 | |
| SCHEMBL30622260 | 0.79 | CA2 (0.36) | BRD4NPC1RAB9ACA12CA1 | |
| SCHEMBL29132966 | 0.79 | CA2 (0.36) | BRD4NPC1RAB9ACA12CA1 | |
| SCHEMBL30622249 | 0.78 | BRD4 (0.47) | BRD4NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL29133127 | 0.78 | BRD4 (0.47) | BRD4NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL29133190 | 0.76 | BRD4 (0.36) | BRD4NPC1RAB9ACA12CA1 | |
| SCHEMBL19472420 | 0.72 | NOTUM (0.40) | BRD4NPC1RAB9ACA12CA1 | |
| SCHEMBL30622191 | 0.72 | NPC1 (0.41) | NPC1RAB9AANO1LMNAGAA | |
| SCHEMBL29133137 | 0.72 | NPC1 (0.41) | NPC1RAB9AANO1LMNAGAA | |
| SCHEMBL15271912 | 0.69 | BRD4 (0.41) | BRD4NPC1RAB9ACA12CA1 |
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 |