Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | USP1 | O94782 | 2/20 | 0.37 |
| ▸ | WDR48 | Q8TAF3 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22037897 | 0.92 | PDK2 (0.45) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22037425 | 0.92 | PDK2 (0.45) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22038058 | 0.92 | PDK2 (0.46) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22038075 | 0.92 | PDK2 (0.46) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22037413 | 0.92 | PDK2 (0.45) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22038925 | 0.92 | PDK2 (0.46) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL25534286 | 0.91 | PDK2 (0.43) | PDK2CYP19A1DHODHCYP11B1USP1 | |
| SCHEMBL18463302 | 0.90 | PDK2 (0.47) | PDK2CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL22037399 | 0.90 | PDK2 (0.44) | PDK2CYP19A1DHODHCYP17A1CYP11B1 | |
| SCHEMBL22038049 | 0.90 | PDK2 (0.44) | PDK2CYP19A1DHODHCYP17A1CYP11B1 |
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-3328841-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-10-11 | — | — | EP | disclosed |
| WO-2017016630-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | WO | disclosed |