Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 1.00 |
| ▸ | GAA | P10253 | 7/20 | 1.00 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23879235 | 1.00 | ALDH1A1 (1.00) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL5395211 | 0.93 | ALDH1A1 (0.86) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL864721 | 0.90 | ALDH1A1 (0.81) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL23879253 | 0.79 | ALDH1A1 (0.66) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL23879237 | 0.78 | ALDH1A1 (0.63) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL23879274 | 0.77 | ALDH1A1 (0.78) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL14627170 | 0.75 | ALDH1A1 (0.59) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL12139914 | 0.73 | ALDH1A1 (0.77) | ALDH1A1GAAL3MBTL1LMNAPDE4B | |
| SCHEMBL23879242 | 0.72 | GAA (0.56) | ALDH1A1GAALMNARIPK1 | |
| SCHEMBL30452479 | 0.72 | GAA (0.56) | ALDH1A1GAALMNARIPK1 |
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 |