Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31064070 | 0.95 | CDK9 (0.43) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064031 | 0.91 | CDK4 (0.55) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064003 | 0.90 | CDK4 (0.46) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064032 | 0.90 | CDK4 (0.45) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064044 | 0.89 | CDK9 (0.36) | CDK4CDK7CDK9ALDH1A1KDM4E | |
| SCHEMBL31064045 | 0.88 | CDK4 (0.43) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064179 | 0.88 | CDK9 (0.47) | CDK4CDK7CDK9MAPTKDM4E | |
| SCHEMBL31064138 | 0.87 | CDK9 (0.48) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064077 | 0.87 | CDK9 (0.44) | CDK4CDK7CDK9ALDH1A1MAPT | |
| SCHEMBL31064215 | 0.87 | CDK4 (0.42) | CDK4CDK7CDK9ALDH1A1MAPT |
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 |