Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 13/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL19001692 | 0.92 | PDK2 (0.44) | PDK2AKR1A1AKR1B1PGRTDP2 | |
| SCHEMBL20687337 | 0.90 | PDK2 (0.43) | PDK2AKR1A1AKR1B1PGRTDP2 | |
| SCHEMBL19001693 | 0.90 | PDK2 (0.42) | PDK2AKR1A1AKR1B1ALDH1A1MAPK1 | |
| SCHEMBL20687322 | 0.86 | PDK2 (0.43) | PDK2AKR1A1AKR1B1PGRTDP2 | |
| SCHEMBL20687347 | 0.85 | PDK2 (0.40) | PDK2AKR1A1AKR1B1ALDH1A1MAPK1 | |
| SCHEMBL15840175 | 0.85 | PDK2 (0.46) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL20687306 | 0.85 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3 | |
| SCHEMBL19001702 | 0.85 | PDK2 (0.46) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL15840172 | 0.85 | PDK2 (0.46) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL20680539 | 0.84 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3 |
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-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |