Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | RORA | P35398 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30451083 | 0.86 | PDK1 (0.49) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL18921672 | 0.86 | PDK1 (0.49) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL18921671 | 0.86 | PDK1 (0.49) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20073974 | 0.82 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20072035 | 0.82 | PDK1 (0.52) | PDK1PDK2PDK3PDK4CES2 | |
| SCHEMBL20074079 | 0.82 | PDK1 (0.46) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20072110 | 0.79 | PDK1 (0.49) | PDK1PDK2PDK3PDK4RORA | |
| SCHEMBL20068672 | 0.79 | PDK1 (0.49) | PDK1PDK2PDK3PDK4RORA | |
| SCHEMBL16892915 | 0.79 | PARP1 (0.56) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL28025855 | 0.79 | KCNN4 (0.56) | PARP1CES2CES1PRSS1PRSS2 |
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 3 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 |
| 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 |