Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 6/20 | 0.40 |
| ▸ | CDK1 | P06493 | 5/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL441798 | 0.89 | DPP4 (0.44) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL2385930 | 0.85 | ADORA2B (0.50) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL9806974 | 0.84 | PNP (0.44) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL6751932 | 0.83 | PNP (0.43) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL29174358 | 0.80 | PNP (0.45) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL6266585 | 0.78 | CDK1 (0.40) | PNPGDAPDPK1CDK2CDK1 | |
| SCHEMBL15743135 | 0.78 | CDK1 (0.42) | DPP4PNPGDAPDPK1CDK2 | |
| SCHEMBL6952184 | 0.77 | SLC2A1 (0.41) | PNPGDAPDPK1CDK2CDK1 | |
| SCHEMBL28460015 | 0.76 | CDK2 (0.38) | PNPGDAPDPK1CDK2CDK1 | |
| SCHEMBL27617652 | 0.75 | PNP (0.44) | PNPCDK2CDK1CCNB1CCNA2 |
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-108484604-A | Azo fragrance nitrogen oxides-chlorethylnitrosourea coupling molecule of target tumor hypoxemia and its preparation method and application | 北京工业大学 | 2018-09-04 | — | — | CN | disclosed |