Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | RORA | P35398 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
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 | 0.84 | CACNA1B (0.41) | PDK1PDK2PDK3PDK4HSD17B1 | |
| SCHEMBL18921672 | 0.84 | PDK1 (0.49) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL30451083 | 0.84 | PDK1 (0.49) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL18921671 | 0.84 | PDK1 (0.49) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20074001 | 0.82 | PDK1 (0.39) | PDK1PDK2PDK3PDK4HSD17B1 | |
| SCHEMBL20072129 | 0.82 | PARP1 (0.49) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20072035 | 0.80 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20073974 | 0.80 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20072273 | 0.77 | PDK1 (0.40) | PDK1PDK2PDK3PDK4RORA | |
| SCHEMBL20072110 | 0.77 | PDK1 (0.49) | PDK1PDK2PDK3PDK4RORA |
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-3526203-B1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-09-22 | — | — | EP | disclosed |
| WO-2018071313-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |