Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RORA | P35398 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18931069 | 0.80 | CACNA1B (0.41) | PDK1PDK2PDK3PDK4CACNA1B | |
| SCHEMBL20074079 | 0.77 | PDK1 (0.46) | PDK1PDK2PDK3PDK4CACNA1B | |
| SCHEMBL20074001 | 0.74 | PDK1 (0.39) | PDK1PDK2PDK3PDK4CACNA1B | |
| SCHEMBL20072129 | 0.72 | PARP1 (0.49) | PDK1PDK2PDK3PDK4KIF11 | |
| SCHEMBL20068672 | 0.72 | PDK1 (0.49) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL30451083 | 0.71 | PDK1 (0.49) | PDK1PDK2PDK3PDK4KIF11 | |
| SCHEMBL18921671 | 0.71 | PDK1 (0.49) | PDK1PDK2PDK3PDK4KIF11 | |
| SCHEMBL18921672 | 0.71 | PDK1 (0.49) | PDK1PDK2PDK3PDK4KIF11 | |
| SCHEMBL20072035 | 0.70 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CYP2D6 | |
| SCHEMBL20073974 | 0.70 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018068297-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |