Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20068678 | 1.00 | PDK1 (0.47) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL20068500 | 0.93 | GAA (0.47) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL22310575 | 0.93 | GAA (0.47) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL20068501 | 0.92 | GAA (0.46) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL20068602 | 0.92 | GAA (0.46) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL20068672 | 0.90 | PDK1 (0.49) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL20073974 | 0.83 | PDK1 (0.52) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL20072035 | 0.83 | PDK1 (0.52) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL20068687 | 0.81 | LMNA (0.51) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL20072110 | 0.80 | PDK1 (0.49) | PDK1PDK2PDK3PDK4POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018071317-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018068296-A1 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018068295-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |