Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 8/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 8/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
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 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CA1CA2TLR9TLR8 | |
| SCHEMBL15272014 | 0.79 | KDM4E (0.52) | ALDH1A1TLR8TLR7KDM4EMAPK1 | |
| SCHEMBL30622155 | 0.79 | KDM4E (0.52) | ALDH1A1TLR8TLR7KDM4EMAPK1 | |
| SCHEMBL30622235 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA1CA2KDM4EMAPK1 | |
| SCHEMBL29133171 | 0.77 | TP53 (0.42) | ALDH1A1CA1CA2KDM4EMAPK1 | |
| SCHEMBL27903952 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA1CA2TLR9TLR8 | |
| SCHEMBL19427972 | 0.77 | POLB (0.62) | ALDH1A1CA1CA2KDM4EMAPK1 | |
| SCHEMBL21938890 | 0.76 | TLR8 (0.57) | ALDH1A1TLR9TLR8TLR7MAPT | |
| SCHEMBL23996994 | 0.75 | TLR8 (0.50) | ALDH1A1TLR9TLR8TLR7KDM4E | |
| SCHEMBL31237065 | 0.75 | ALDH1A1 (0.78) | ALDH1A1CA1CA2KDM4EMAPK1 |
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 |