Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20071820 | 0.98 | NR1H2 (0.47) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20072193 | 0.98 | NR1H2 (0.47) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20072156 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20074068 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL21686280 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20072157 | 0.91 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL21686356 | 0.90 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL21644375 | 0.90 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20074053 | 0.90 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 | |
| SCHEMBL20071994 | 0.90 | NR1H2 (0.41) | NR1H2NR1H3DRD2DRD3OPRM1 |
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-2018068297-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |