Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL23625979 | 0.92 | PDK2 (0.40) | PDK2AKR1A1AKR1B1S100A4HSD11B1 | |
| SCHEMBL23959456 | 0.89 | PDK2 (0.39) | PDK2BACE1 | |
| SCHEMBL23621051 | 0.88 | PDK2 (0.42) | PDK2HSD11B1BACE1 | |
| SCHEMBL24728354 | 0.87 | PDK2 (0.49) | PDK2AKR1A1AKR1B1S100A4HSD11B1 | |
| SCHEMBL22797179 | 0.87 | PDK2 (0.49) | PDK2AKR1A1AKR1B1S100A4HSD11B1 | |
| SCHEMBL23621058 | 0.87 | PDK2 (0.41) | PDK2HSD11B1BACE1 | |
| SCHEMBL25962200 | 0.86 | SLC6A3 (0.35) | PDK2HSD11B1 | |
| SCHEMBL23626029 | 0.83 | PDK2 (0.40) | PDK2AKR1A1AKR1B1S100A4 | |
| SCHEMBL24406024 | 0.80 | CXCR3 (0.36) | PDK2HSD11B1 | |
| SCHEMBL23959406 | 0.79 | PDK2 (0.39) | PDK2HSD11B1BACE1 |
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-2020248943-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2020-12-17 | — | — | WO | disclosed |