Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 7/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27842808 | 0.88 | PDE4A (0.53) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL874737 | 0.84 | ADORA2A (0.56) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1047660 | 0.84 | PNP (0.45) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5048181 | 0.84 | PNP (0.45) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7173171 | 0.83 | ADORA2A (0.40) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6265343 | 0.82 | PDE4A (0.55) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3021043 | 0.82 | PNP (0.50) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7586877 | 0.82 | PNP (0.47) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7442906 | 0.82 | ADORA2A (0.41) | PNPPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL669007 | 0.82 | ADORA2B (0.61) | PNPPDE4APDE4BPDE4CPDE4D |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105938124-A | Determination method of formaldehyde-DNA adducts in saliva | 国家烟草质量监督检验中心 | 2016-09-14 | — | — | CN | claimed |
| CN-105628848-A | Method for measuring six aldehyde-DNA adducts in saliva | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2016-06-01 | — | — | CN | claimed |
| CN-105938124-A | Determination method of formaldehyde-DNA adducts in saliva | 国家烟草质量监督检验中心 | 2016-09-14 | — | — | CN | disclosed |
| CN-105911164-A | Determination method of formaldehyde-DNA adduct | 国家烟草质量监督检验中心 | 2016-08-31 | — | — | CN | disclosed |
| CN-105628848-A | Method for measuring six aldehyde-DNA adducts in saliva | NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT | 2016-06-01 | — | — | CN | disclosed |