Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 12/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.37 |
| ▸ | TLR4 | O00206 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21258472 | 0.84 | DRD2 (0.39) | TLR8TLR7TLR9TLR4DRD2 | |
| SCHEMBL24152761 | 0.76 | ALDH1A1 (0.39) | TLR8TLR7TLR9TLR4DRD2 | |
| SCHEMBL25712191 | 0.76 | SMYD3 (0.37) | DRD2DRD4DRD3AADATPDE4D | |
| SCHEMBL26298923 | 0.76 | LRRK2 (0.41) | DRD2DRD4DRD3GABRA1GABRB2 | |
| SCHEMBL25718397 | 0.76 | SMYD3 (0.37) | DRD2DRD4DRD3AADATPDE4D | |
| SCHEMBL23584944 | 0.75 | DRD2 (0.44) | TLR8TLR7TLR9TLR4DRD2 | |
| SCHEMBL22258794 | 0.74 | ALDH1A1 (0.41) | DRD2DRD4DRD3AADATALDH1A1 | |
| SCHEMBL23584998 | 0.73 | DRD2 (0.42) | TLR8TLR7TLR9TLR4DRD2 | |
| SCHEMBL20689124 | 0.72 | KDM5A (0.42) | DRD2DRD4DRD3GABRA1GABRB2 | |
| SCHEMBL21863534 | 0.72 | DRD2 (0.37) | DRD2DRD4DRD3AADATGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4005637-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2022-06-01 | — | — | EP | disclosed |