Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23879242 | 1.00 | GAA (0.56) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL5402848 | 0.93 | GAA (0.50) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL23879249 | 0.90 | ALDH1A1 (0.46) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL23879277 | 0.81 | HTT (0.39) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL23879231 | 0.79 | LMNA (0.41) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL4308385 | 0.78 | ALDH1A1 (0.53) | GAAALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL13892809 | 0.78 | ALDH1A1 (0.49) | GAAALDH1A1LMNAKMT2ACES2 | |
| SCHEMBL30453150 | 0.78 | ALDH1A1 (0.43) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL23879281 | 0.78 | ALDH1A1 (0.43) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL11039504 | 0.75 | CES2 (0.49) | GAAALDH1A1ITGB2ICAM1ITGAL |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |