Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29683860 | 0.82 | MAPT (0.44) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL28792142 | 0.82 | MAPT (0.44) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL29684461 | 0.81 | ALDH1A1 (0.41) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL28792151 | 0.81 | RECQL (0.55) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL29683807 | 0.81 | RECQL (0.55) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL28792128 | 0.81 | ALDH1A1 (0.41) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL8032584 | 0.80 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL8032582 | 0.80 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DHPGD | |
| SCHEMBL28877319 | 0.74 | CES1 (0.35) | ALDH1A1POLBMAPTTSHRRECQL | |
| SCHEMBL571023 | 0.74 | MAOA (0.39) | ALDH1A1POLBMAPTTSHRRECQL |
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-109942459-A | A method of synthesis 3- difluoromethyl -3- acrylonitrile compound | 南京理工大学 | 2019-06-28 | — | — | CN | disclosed |