Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 5/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29733681 | 0.94 | PDK2 (0.45) | PDK2AKR1A1AKR1B1HSD11B1S100A4 | |
| SCHEMBL22780112 | 0.94 | PDK2 (0.45) | PDK2AKR1A1AKR1B1HSD11B1S100A4 | |
| SCHEMBL23609480 | 0.87 | PDK2 (0.42) | PDK2AKR1A1AKR1B1HSD11B1S100A4 | |
| SCHEMBL24728354 | 0.85 | PDK2 (0.49) | PDK2AKR1A1AKR1B1HSD11B1BACE1 | |
| SCHEMBL22797179 | 0.85 | PDK2 (0.49) | PDK2AKR1A1AKR1B1HSD11B1BACE1 | |
| SCHEMBL24848654 | 0.85 | PDK2 (0.50) | PDK2AKR1A1AKR1B1CHRM2CHRM4 | |
| SCHEMBL25818648 | 0.84 | PDK2 (0.38) | PDK2AKR1A1AKR1B1HSD11B1CHRM2 | |
| SCHEMBL25501424 | 0.84 | PDK2 (0.38) | PDK2AKR1A1AKR1B1HSD11B1S100A4 | |
| SCHEMBL23626029 | 0.84 | PDK2 (0.40) | PDK2AKR1A1AKR1B1CHRM2CHRM4 | |
| SCHEMBL22787951 | 0.83 | PDK2 (0.50) | PDK2HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021213109-A1 | ARYLAMINE COMPOUND, ELECTRONIC COMPONENT USING SAME AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |