Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622206 | 1.00 | MAOB (0.37) | MAOBALDH1A1MAPTMAPK1HPGD | |
| SCHEMBL29133150 | 0.88 | S1PR1 (0.39) | MAOBALDH1A1MAPTMAPK1HPGD | |
| SCHEMBL30622149 | 0.88 | S1PR1 (0.39) | MAOBALDH1A1MAPTMAPK1HPGD | |
| SCHEMBL4312617 | 0.76 | ALDH1A1 (0.54) | MAOBALDH1A1MAPTHPGDABCB1 | |
| SCHEMBL29133201 | 0.76 | MAPT (0.39) | MAOBALDH1A1MAPTMAPK1HPGD | |
| SCHEMBL30622169 | 0.76 | MAPT (0.39) | MAOBALDH1A1MAPTMAPK1HPGD | |
| SCHEMBL28599920 | 0.74 | KDM4E (0.45) | ALDH1A1MAPTMAPK1HPGDPOLB | |
| SCHEMBL31300130 | 0.73 | MAPT (0.49) | ALDH1A1MAPTS1PR1HSD17B10CYP3A4 | |
| SCHEMBL22322317 | 0.69 | — | — | |
| SCHEMBL456627 | 0.68 | ABCG2 (0.47) | ALDH1A1MAPTMAPK1HPGDABCB1 |
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 |