Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.33 |
| ▸ | HTR3B | O95264 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.33 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18921624 | 0.91 | SMO (0.34) | ADRB2SMODGAT1KCNH2HSD11B1 | |
| SCHEMBL18921631 | 0.88 | GPR119 (0.37) | PDK1CHEK1HSD11B1MAP4K4TPSAB1 | |
| SCHEMBL18838746 | 0.88 | NR1H2 (0.39) | PDK1ADRB2SMOSLC6A4HTR3E | |
| SCHEMBL21644386 | 0.85 | OPRK1 (0.35) | SMOKCNH2HSD11B1MAP4K4MEN1 | |
| SCHEMBL18921626 | 0.85 | ADRB2 (0.36) | PDK1ADRB2SMOSLC6A4HTR3E | |
| SCHEMBL22363580 | 0.83 | NR1H2 (0.39) | SMO | |
| SCHEMBL23838138 | 0.82 | HSD11B1 (0.36) | SMOHSD11B1MAP4K4MEN1KMT2A | |
| SCHEMBL20074072 | 0.81 | CYP11B2 (0.38) | SMOHSD11B1MAPK8 | |
| SCHEMBL20072195 | 0.81 | PTGER4 (0.44) | SMOHSD11B1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23838140 | 0.81 | NR1H2 (0.42) | SMOHTR3EHTR3BHTR3AHTR3D |
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-2017095758-A1 | HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-06-08 | — | — | WO | disclosed |