Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29132973 | 0.85 | ALDH1A1 (0.38) | ALDH1A1CA1CA2KDM4EMAPT | |
| SCHEMBL29133063 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CA1CA2KDM4EMAPT | |
| SCHEMBL29133160 | 0.80 | SMN1; SMN2 (0.41) | ALDH1A1KDM4EMAPTMAPK1POLB | |
| SCHEMBL29133064 | 0.80 | NOTUM (0.43) | ALDH1A1KDM4EMAPTMAPK1POLB | |
| SCHEMBL29133017 | 0.79 | DGAT1 (0.50) | ALDH1A1KDM4EMAPTMAPK1POLB | |
| SCHEMBL29133128 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CA1CA2MAPTLRRK2 | |
| SCHEMBL30622248 | 0.78 | KDM4E (0.49) | ALDH1A1CA1CA2KDM4EMAPT | |
| SCHEMBL29133117 | 0.76 | HDAC6 (0.45) | — | |
| SCHEMBL30622235 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CA1CA2KDM4EMAPT | |
| SCHEMBL29133060 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CA1CA2KDM4EMAPT |
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 |