Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16911735 | 0.87 | MAPT (0.52) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL29598492 | 0.81 | KMO (0.48) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL17049238 | 0.81 | ALDH1A1 (0.59) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL29598549 | 0.81 | SCN4A (0.50) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL16910765 | 0.79 | KDM4E (0.50) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL22052731 | 0.78 | NPC1 (0.40) | BRD4KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL27762793 | 0.78 | KMT2A (0.48) | KEAP1KMT2ASCN4ABRD4FYN | |
| SCHEMBL16627912 | 0.77 | KMO (0.48) | KEAP1KMT2ASCN4ACYP19A1PIK3CD | |
| SCHEMBL4312617 | 0.76 | ALDH1A1 (0.54) | PTGS2MAPTALDH1A1HPGDPDE4A | |
| SCHEMBL30622179 | 0.76 | KMT2A (0.44) | KEAP1KMT2ASCN4AKDM4ESMN1; SMN2 |
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 |