Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 8/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 7/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133055 | 0.85 | ALDH1A1 (0.52) | ALDH1A1POLBTLR8TLR7TLR9 | |
| SCHEMBL29132996 | 0.75 | TLR8 (0.37) | ALDH1A1TLR8TLR7TLR9MAPT | |
| SCHEMBL29133160 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1POLBTLR8TLR7MAPT | |
| SCHEMBL29133064 | 0.74 | NOTUM (0.43) | ALDH1A1POLBMAPTTP53KDM4E | |
| SCHEMBL29133017 | 0.73 | DGAT1 (0.50) | ALDH1A1POLBTLR8TLR7TLR9 | |
| SCHEMBL30622248 | 0.72 | KDM4E (0.49) | ALDH1A1POLBMAPTTP53CA1 | |
| SCHEMBL29133007 | 0.71 | MAPT (0.48) | ALDH1A1POLBTLR8TLR7TLR9 | |
| SCHEMBL29133117 | 0.70 | HDAC6 (0.45) | — | |
| SCHEMBL30622193 | 0.69 | TLR8 (0.43) | ALDH1A1POLBTLR8TLR7TLR9 | |
| SCHEMBL29133097 | 0.67 | ALDH1A1 (0.52) | ALDH1A1TLR8MAPTKDM4ELMNA |
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 |