Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20060885 | 0.96 | PDK2 (0.41) | PDK2GPR119THRBMCHR1NR1H2 | |
| SCHEMBL20060927 | 0.89 | GPR119 (0.47) | PDK2GPR119THRBNR1H2NR1H3 | |
| SCHEMBL20061055 | 0.89 | GPR119 (0.47) | PDK2GPR119THRBNR1H2NR1H3 | |
| SCHEMBL22311326 | 0.86 | NR1H2 (0.51) | PDK2GPR119NPC1RAB9ATHRB | |
| SCHEMBL22311325 | 0.86 | NR1H2 (0.51) | PDK2GPR119NPC1RAB9ATHRB | |
| SCHEMBL30451037 | 0.86 | NR1H2 (0.51) | PDK2GPR119NPC1RAB9ATHRB | |
| SCHEMBL20060882 | 0.85 | GPR119 (0.39) | GPR119RAB9ATHRB | |
| SCHEMBL22310514 | 0.82 | GPR119 (0.41) | GPR119RAB9AKMT2A | |
| SCHEMBL22310596 | 0.81 | NR1H2 (0.52) | PDK2GPR119THRBMCHR1NR1H2 | |
| SCHEMBL22311353 | 0.81 | NR1H2 (0.52) | PDK2GPR119THRBMCHR1NR1H2 |
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-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 |