Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| SCHEMBL30622258 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CA1CA2SMOMAPT | |
| SCHEMBL30622257 | 0.81 | BRD4 (0.36) | GAA | |
| SCHEMBL29133136 | 0.80 | TDP1 (0.36) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL30622228 | 0.80 | TDP1 (0.36) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL29133005 | 0.76 | HDAC6 (0.39) | — | |
| SCHEMBL30622220 | 0.76 | HDAC6 (0.39) | — | |
| SCHEMBL29133055 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CA1CA2MAPTKDM4E | |
| SCHEMBL29133048 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CA1CA2MAPTMAPK1 | |
| SCHEMBL29133063 | 0.68 | ALDH1A1 (0.52) | ALDH1A1CA1CA2MAPTKDM4E | |
| SCHEMBL24921754 | 0.67 | BRD4 (0.38) | MAPTNPC1RAB9AL3MBTL1ATR |
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 |