Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19308643 | 1.00 | PDK2 (0.43) | PDK2SMN1; SMN2PRCPLMNAPOLB | |
| SCHEMBL19308644 | 1.00 | PDK2 (0.43) | PDK2SMN1; SMN2PRCPLMNAPOLB | |
| SCHEMBL16827674 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827677 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827786 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827999 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16828000 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL16827784 | 0.91 | PDK2 (0.55) | PDK2 | |
| SCHEMBL18176590 | 0.88 | PDK2 (0.42) | PDK2SMN1; SMN2PRCPLMNAMAPT | |
| SCHEMBL16828053 | 0.87 | SMN1; SMN2 (0.56) | SMN1; SMN2LMNAPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |