Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL26619924 | 1.00 | DRD4 (0.39) | DRD4GRM2DRD3HTR1AHTR2A | |
| SCHEMBL30670376 | 0.84 | ATR (0.37) | DRD4GRM2ATRPIK3CACNR2 | |
| SCHEMBL30515508 | 0.82 | ATR (0.44) | HTR1ASLC6A4ATRPIK3CAJAK2 | |
| SCHEMBL26619772 | 0.82 | ATR (0.44) | HTR1ASLC6A4ATRPIK3CAJAK2 | |
| SCHEMBL26619984 | 0.78 | CKS1B (0.47) | PIK3CARET | |
| SCHEMBL26619895 | 0.78 | SYK (0.41) | DRD3HTR2A | |
| SCHEMBL30670373 | 0.78 | SYK (0.41) | DRD3HTR2A | |
| SCHEMBL30515659 | 0.66 | KDM1A (0.48) | METJAK2JAK3RETMAPT | |
| SCHEMBL26620027 | 0.66 | KDM1A (0.48) | METJAK2JAK3RETMAPT | |
| SCHEMBL1892370 | 0.65 | ADORA2A (0.54) | DRD4DRD3HTR1AHTR2ASLC6A4 |
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-116514779-A | 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof | 中南大学 | 2023-08-01 | — | — | CN | disclosed |