Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL20077320 | 1.00 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3PDK1NR1H2 | |
| SCHEMBL20077553 | 0.82 | GPR119 (0.49) | NR1H2NR1H3 | |
| SCHEMBL20077552 | 0.82 | GPR119 (0.49) | NR1H2NR1H3 | |
| SCHEMBL20077107 | 0.78 | NMT1 (0.45) | SLC6A4SLC6A2SLC6A3PDK1ITGB3 | |
| SCHEMBL20077151 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3ITGB3ITGA2BCHRM1 | |
| SCHEMBL20077157 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3ITGB3ITGA2BCHRM1 | |
| SCHEMBL22894969 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3ITGB3ITGA2BCHRM1 | |
| SCHEMBL22894992 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3ITGB3ITGA2BCHRM1 | |
| SCHEMBL20077243 | 0.77 | NR1H2 (0.64) | NR1H2NR1H3ITGB3ITGA2BCHRM1 | |
| SCHEMBL25547122 | 0.76 | ITGB3 (0.47) | PDK1ITGB3ITGA2B |
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-2018071315-A2 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |