Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 12/20 | 0.44 |
| ▸ | CDK4 | P11802 | 3/20 | 0.44 |
| ▸ | CDK7 | P50613 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 11/20 | 0.39 |
| ▸ | NOS2 | P35228 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31064154 | 0.87 | CDK7 (0.54) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064178 | 0.86 | CDK9 (0.43) | CDK9CDK4CDK7CDK2NOS2 | |
| SCHEMBL31064055 | 0.86 | ALDH1A1 (0.42) | CDK9CDK4CDK7CDK2ALDH1A1 | |
| SCHEMBL31064246 | 0.86 | CDK9 (0.58) | CDK9CDK4CDK7CDK2NOS2 | |
| SCHEMBL31064099 | 0.85 | CDK9 (0.49) | CDK9CDK4CDK7CDK2ALDH1A1 | |
| SCHEMBL31064184 | 0.85 | CDK2 (0.51) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064224 | 0.85 | CDK9 (0.42) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064021 | 0.84 | CDK9 (0.40) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064143 | 0.84 | CDK9 (0.46) | CDK9CDK4CDK7CDK2 | |
| SCHEMBL31064138 | 0.83 | CDK9 (0.48) | CDK9CDK4CDK7CDK2NOS2 |
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 |