Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19283454 | 1.00 | PDK2 (0.44) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL23931062 | 0.98 | PDK2 (0.46) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL30484155 | 0.98 | PDK2 (0.46) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL21666534 | 0.89 | PDK2 (0.38) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL19299616 | 0.89 | CYP1A2 (0.41) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL21666425 | 0.89 | PDK2 (0.38) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL23989130 | 0.88 | PDK2 (0.49) | PDK2CYP1A2SUCNR1 | |
| SCHEMBL21666445 | 0.87 | PDK2 (0.40) | PDK2CYP1A2SLC6A3SLC6A4PTGS2 | |
| SCHEMBL23989252 | 0.87 | CYP2A6 (0.52) | PDK2KDM4EMEN1LMNAMAPT | |
| SCHEMBL20618653 | 0.86 | PDK2 (0.45) | PDK2SUCNR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225733-B1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2024-11-27 | — | — | EP | disclosed |
| EP-4225733-A2 | COMPOUNDS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2023-08-16 | — | — | EP | disclosed |
| CN-116406358-A | Compounds for electronic devices | 默克专利有限公司 | 2023-07-07 | — | — | CN | disclosed |