Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23547405 | 0.95 | ALDH1A1 (0.50) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547553 | 0.92 | ALDH1A1 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547467 | 0.90 | ALDH1A1 (0.43) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547499 | 0.90 | ALDH1A1 (0.43) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547412 | 0.86 | ALDH1A1 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547450 | 0.84 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547384 | 0.84 | ALDH1A1 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547417 | 0.84 | ALDH1A1 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547468 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547407 | 0.83 | TLR9 (0.39) | ALDH1A1MAPTMAPK1HTTPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021121390-A1 | HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF | 苏州信诺维医药科技股份有限公司 | 2021-06-24 | — | — | WO | disclosed |