Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | OGG1 | O15527 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133080 | 0.85 | TP53 (0.41) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL30622268 | 0.84 | NOTUM (0.50) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL256771 | 0.84 | NOTUM (0.50) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL24595665 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL30622253 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL408849 | 0.82 | CA1 (0.44) | ALDH1A1CA1CA2KDM5ARAB9A | |
| SCHEMBL29133180 | 0.79 | GSK3B (0.49) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL30602390 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ASMN1; SMN2HTT | |
| SCHEMBL9221435 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 | |
| SCHEMBL3183891 | 0.77 | CA12 (0.51) | ALDH1A1CYP3A4MEN1KMT2ACYP1A2 |
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 |