Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 12/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL31497074 | 0.90 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3CYP2A6 | |
| SCHEMBL20680539 | 0.90 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3CYP2A6 | |
| SCHEMBL19001688 | 0.90 | PDK2 (0.47) | PDK2ALDH1A1AKR1A1AKR1B1PTGES | |
| SCHEMBL28886028 | 0.90 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3CYP2A6 | |
| SCHEMBL19001700 | 0.90 | PDK2 (0.39) | PDK2ALDH1A1MAPK1AKR1A1AKR1B1 | |
| SCHEMBL19001692 | 0.90 | PDK2 (0.44) | PDK2AKR1A1AKR1B1 | |
| SCHEMBL20687347 | 0.90 | PDK2 (0.40) | PDK2ALDH1A1MAPK1AKR1A1AKR1B1 | |
| SCHEMBL20687306 | 0.89 | PDK2 (0.44) | PDK2AKR1A1AKR1B1SLC6A3CYP2A6 | |
| SCHEMBL20687322 | 0.88 | PDK2 (0.43) | PDK2AKR1A1AKR1B1SLC6A3 | |
| SCHEMBL19001863 | 0.87 | PDK2 (0.49) | PDK2ALDH1A1MAPK1CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390365-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |