Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.30 |
| ▸ | ACP1 | P24666 | 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 | |
|---|---|---|---|---|
| SCHEMBL10079575 | 0.84 | PDE4D (0.35) | GAAAOC3PDE4DPDE4APDE4B | |
| SCHEMBL30937573 | 0.80 | GAA (0.41) | GAACDK2AOC3ACP1 | |
| SCHEMBL19986675 | 0.76 | BDKRB2 (0.34) | NOS3NOS2PDE4DPDE4APDE4B | |
| SCHEMBL21736851 | 0.76 | PDE4D (0.35) | PDE4DPDE4APDE4BPDE4CBDKRB2 | |
| SCHEMBL24595059 | 0.74 | CYP11B2 (0.34) | AOC3NOS3NOS2USP7 | |
| SCHEMBL21736891 | 0.74 | CYP11B2 (0.40) | PDE4DPDE4APDE4BPDE4CBDKRB2 | |
| SCHEMBL20517931 | 0.74 | AOC3 (0.31) | AOC3NOS3NOS2 | |
| SCHEMBL24594992 | 0.74 | PDE4D (0.31) | PDE4DPDE4APDE4BPDE4CBDKRB2 | |
| SCHEMBL17681738 | 0.71 | PDE4D (0.43) | GAAPDE4DPDE4APDE4BPDE4C | |
| SCHEMBL17366546 | 0.70 | — | — |
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-105916503-A | Heteroaryls and uses thereof | 米伦纽姆医药公司 | 2016-08-31 | — | — | CN | disclosed |