Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20074079 | 0.84 | PDK1 (0.46) | CACNA1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL22625871 | 0.82 | OPRM1 (0.44) | PDK2 | |
| SCHEMBL20074001 | 0.81 | PDK1 (0.39) | CACNA1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL20072273 | 0.80 | PDK1 (0.40) | CACNA1BPDK1PDK2PDK3PDK4 | |
| SCHEMBL30451083 | 0.77 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18921671 | 0.77 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18921672 | 0.77 | PDK1 (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL21686402 | 0.77 | MEN1 (0.37) | PDK1PDK2PDK3PDK4ACHE | |
| SCHEMBL20060896 | 0.77 | PDK1 (0.47) | PDK1PDK2PDK3PDK4MTNR1A | |
| SCHEMBL20068678 | 0.77 | PDK1 (0.47) | PDK1PDK2PDK3PDK4MTNR1A |
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 |