Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 15/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 14/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 14/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 14/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 14/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | MGMT | P16455 | 5/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6141627 | 0.86 | CDK2 (0.50) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL7668710 | 0.83 | PDPK1 (0.56) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL4455870 | 0.82 | CDK2 (0.62) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL31642104 | 0.80 | PDPK1 (0.59) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL7386942 | 0.75 | DPP4 (0.51) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL27870406 | 0.75 | PDPK1 (0.61) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL29004761 | 0.74 | CDK2 (0.59) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL29720347 | 0.73 | MAP3K5 (0.60) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL27485471 | 0.72 | CDK2 (0.65) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL7527095 | 0.71 | CDK1 (0.49) | PDPK1GDACDK2DPP4CDK1 |
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-104744472-A | Preparation method of high-quality 2-amino-6-chloro-9-(4-hydroxyl-3-hydroxymethylbutyl) purine | CHANGZHOU KONY PHARMACEUTICAL CO LTD | 2015-07-01 | — | — | CN | disclosed |