Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 11/20 | 0.46 |
| ▸ | CDK2 | P24941 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 7/20 | 0.43 |
| ▸ | CDK4 | P11802 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | CCNH | P51946 | 4/20 | 0.39 |
| ▸ | MNAT1 | P51948 | 4/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL23547353 | 0.90 | ALDH1A1 (0.51) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL30865954 | 0.89 | CDK2 (0.56) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547464 | 0.86 | ALDH1A1 (0.49) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547346 | 0.83 | CDK9 (0.51) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547485 | 0.83 | ALDH1A1 (0.52) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL31063951 | 0.83 | CDK9 (0.45) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL31064056 | 0.82 | ALDH1A1 (0.46) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547338 | 0.81 | CDK2 (0.57) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547341 | 0.81 | ALDH1A1 (0.49) | CDK9CDK2ALDH1A1NPC1MAPT | |
| SCHEMBL23547374 | 0.81 | ALDH1A1 (0.49) | CDK9CDK2ALDH1A1NPC1MAPT |
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-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 |