Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | DTYMK | P23919 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL17203070 | 0.90 | BCHE (0.43) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL5767171 | 0.88 | BCHE (0.41) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL21912851 | 0.88 | BCHE (0.50) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL4775639 | 0.88 | BCHE (0.45) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL30681524 | 0.86 | BCHE (0.48) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL21912451 | 0.86 | BCHE (0.48) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL3237107 | 0.82 | KDM1A (0.49) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL3237114 | 0.82 | KDM1A (0.49) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL3663865 | 0.82 | KDM1A (0.42) | BCHEKDM1APDE4APDE4BPDE4C | |
| SCHEMBL3664777 | 0.82 | KDM1A (0.42) | BCHEKDM1APDE4APDE4BPDE4C |
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-118047800-A | Dual-function chimeric heterocyclic compound of interleukin-1 receptor related kinase, and preparation method and application thereof | 石药集团中奇制药技术（石家庄）有限公司 | 2024-05-17 | — | — | CN | disclosed |