Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.69 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | BRAF | P15056 | 7/20 | 0.52 |
| ▸ | PRKACA | P17612 | 3/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16146274 | 1.00 | CDK1 (0.69) | CDK1NUDT1HDAC1BRAFPRKACA | |
| SCHEMBL16146483 | 0.85 | CDK1 (0.69) | CDK1NUDT1HDAC1BRAFPRKACA | |
| SCHEMBL30523369 | 0.85 | CDK1 (0.49) | CDK1NUDT1PDE4APDE4BPDE4C | |
| SCHEMBL30523429 | 0.85 | CDK1 (0.69) | CDK1NUDT1HDAC1BRAFPRKACA | |
| SCHEMBL30523372 | 0.85 | CDK1 (0.49) | CDK1NUDT1HDAC1PRKACAPDE4A | |
| SCHEMBL16146196 | 0.85 | CDK1 (0.69) | CDK1NUDT1HDAC1BRAFPRKACA | |
| SCHEMBL16146147 | 0.85 | CDK1 (0.49) | CDK1NUDT1HDAC1PRKACAPDE4A | |
| SCHEMBL16146857 | 0.85 | CDK1 (0.49) | CDK1NUDT1PDE4APDE4BPDE4C | |
| SCHEMBL16146446 | 0.82 | TSHR (0.69) | CDK1NUDT1HDAC1BRAFPRKACA | |
| SCHEMBL30523382 | 0.82 | TSHR (0.69) | CDK1NUDT1HDAC1BRAFPRKACA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116492347-A | Compound for activating AMPK and application thereof | 华安医学股份有限公司 | 2023-07-28 | — | — | CN | disclosed |