Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23879232 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GAALMNAL3MBTL1MAPT | |
| SCHEMBL23879267 | 0.89 | ALDH1A1 (0.54) | ALDH1A1GAALMNAL3MBTL1MAPT | |
| SCHEMBL23879245 | 0.81 | MAPT (0.44) | ALDH1A1LMNAMAPTPDE4DKMT2A | |
| SCHEMBL30452460 | 0.81 | MAPT (0.44) | ALDH1A1LMNAMAPTPDE4DKMT2A | |
| SCHEMBL30452606 | 0.81 | MAPT (0.44) | ALDH1A1LMNAMAPTPDE4DKMT2A | |
| SCHEMBL4318037 | 0.78 | MAPT (0.37) | LMNAMAPTKMT2AGLAMEN1 | |
| SCHEMBL28428468 | 0.74 | ALDH1A1 (0.59) | ALDH1A1GAALMNAL3MBTL1MAPT | |
| SCHEMBL7591249 | 0.72 | ALDH1A1 (0.57) | ALDH1A1GAALMNAL3MBTL1MAPT | |
| SCHEMBL23879266 | 0.70 | CA12 (0.47) | GAALMNAMAPTKMT2ARAB9A | |
| SCHEMBL30452491 | 0.70 | CA12 (0.47) | GAALMNAMAPTKMT2ARAB9A |
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 |