Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 4/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CDK7 | P50613 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL23529883 | 0.94 | CDK9 (0.54) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064099 | 0.90 | CDK9 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547353 | 0.89 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31064055 | 0.89 | ALDH1A1 (0.42) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547464 | 0.88 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547341 | 0.88 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547374 | 0.88 | ALDH1A1 (0.49) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547337 | 0.87 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL31063997 | 0.87 | CDK9 (0.41) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23547517 | 0.86 | CDK9 (0.45) | CDK9CDK4CDK7CDK2 |
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 4 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-113004285-B | Heterocyclic compound, pharmaceutical composition, preparation method, intermediate and application thereof | 苏州信诺维医药科技股份有限公司 | 2024-05-14 | — | — | 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 |
| CN-113004285-A | Heterocyclic compound and pharmaceutical composition, preparation method, intermediate and application thereof | 苏州信诺维医药科技股份有限公司 | 2021-06-22 | — | — | CN | disclosed |