Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31063972 | 0.90 | GPR119 (0.41) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL19896550 | 0.88 | GPR119 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547485 | 0.87 | ALDH1A1 (0.52) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547353 | 0.86 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064133 | 0.86 | GPR119 (0.45) | GPR119CDK9CDK2 | |
| SCHEMBL23547374 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547464 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547341 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23529883 | 0.83 | CDK9 (0.54) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL19896539 | 0.83 | USP30 (0.45) | ALDH1A1NPC1MAPTMAPK1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024175024-A1 | NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2024-08-29 | — | — | WO | disclosed |
| CN-117843642-A | Difunctional compound and application thereof | 麦科萨药业(苏州)有限公司 | 2024-04-09 | — | — | CN | disclosed |
| 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 |