Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 4/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | PDE6D | O43924 | 1/20 | 0.43 |
| ▸ | PDE8A | O60658 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | PDE9A | O76083 | 1/20 | 0.43 |
| ▸ | PDE8B | O95263 | 1/20 | 0.43 |
| ▸ | PDE6A | P16499 | 1/20 | 0.43 |
| ▸ | PDE6G | P18545 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE6B | P35913 | 1/20 | 0.43 |
| ▸ | PDE6C | P51160 | 1/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28721401 | 1.00 | BRD4 (0.49) | BRD4DAOPDE2APDE6DPDE8A | |
| SCHEMBL30273110 | 0.69 | PARP1 (0.62) | BRD4DAOPDE2APDE6DPDE8A | |
| SCHEMBL30273068 | 0.69 | DAO (0.46) | BRD4DAOPDE2APDE6DPDE8A | |
| SCHEMBL7330649 | 0.68 | DAO (0.53) | BRD4DAODDOPARP1GRIN2D | |
| SCHEMBL7329258 | 0.68 | DAO (0.49) | BRD4DAOPDE2APDE6DPDE8A | |
| SCHEMBL23869965 | 0.68 | CDC25B (0.72) | BRD4DAOPDE2APDE6DPDE8A | |
| SCHEMBL29979393 | 0.67 | BRD4 (1.00) | BRD4DAODDOGRIN2DGRIN3B | |
| SCHEMBL248620 | 0.67 | BRD4 (1.00) | BRD4DAODDOGRIN2DGRIN3B | |
| SCHEMBL30073740 | 0.66 | GAA (0.57) | DAOKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL25633426 | 0.66 | GAA (0.57) | DAOKDM4EALDH1A1MAPTHPGD |
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-114195793-A | Nitrogen-aryl indole lactam compound, application thereof and preparation method of C-N axis-containing nitrogen-aryl indole axial chiral amino acid | 南京工业大学 | 2022-03-18 | — | — | CN | disclosed |