Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23879278 | 1.00 | HTT (0.49) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879246 | 0.82 | HTT (0.51) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL30452602 | 0.78 | HTT (0.45) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879258 | 0.78 | HTT (0.45) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879249 | 0.76 | ALDH1A1 (0.46) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879241 | 0.75 | ALDH1A1 (0.55) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL30452623 | 0.75 | TSHR (0.41) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879240 | 0.75 | TSHR (0.41) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879277 | 0.72 | HTT (0.39) | HTTSMN1; SMN2MAPTNPSR1GAA | |
| SCHEMBL23879281 | 0.72 | ALDH1A1 (0.43) | HTTSMN1; SMN2MAPTNPSR1GAA |
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 |