Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21974941 | 0.80 | PDK2 (0.41) | PDK2 | |
| SCHEMBL7220363 | 0.79 | HSD17B3 (0.49) | PDK2CES2CES1HSD17B3 | |
| SCHEMBL15159198 | 0.78 | PDK2 (0.42) | PDK2 | |
| SCHEMBL10039402 | 0.75 | PDK2 (0.38) | PDK2 | |
| SCHEMBL134285 | 0.75 | PDK2 (0.58) | PDK2 | |
| SCHEMBL29114 | 0.75 | PDK2 (0.58) | PDK2 | |
| SCHEMBL134286 | 0.75 | PDK2 (0.58) | PDK2 | |
| SCHEMBL18900537 | 0.74 | PDK2 (0.51) | PDK2 | |
| SCHEMBL12337045 | 0.74 | PDK2 (0.60) | PDK2 | |
| SCHEMBL21974969 | 0.73 | PDK2 (0.50) | PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2627730-B1 | FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2020-05-06 | — | — | EP | disclosed |