Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 6/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31064241 | 0.87 | CDK9 (0.54) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL31063939 | 0.87 | CDK9 (0.41) | CDK9CDK4CDK7ALDH1A1CDK2 | |
| SCHEMBL23547485 | 0.87 | ALDH1A1 (0.52) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL31064033 | 0.84 | CDK7 (0.57) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064055 | 0.82 | ALDH1A1 (0.42) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL23529883 | 0.81 | CDK9 (0.54) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL31064223 | 0.80 | CDK9 (0.45) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064099 | 0.80 | CDK9 (0.49) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL23547464 | 0.78 | ALDH1A1 (0.49) | CDK9CDK4CDK7ALDH1A1MAPT | |
| SCHEMBL23547353 | 0.77 | ALDH1A1 (0.51) | CDK9CDK4CDK7ALDH1A1MAPT |
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 |