Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 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 | |
|---|---|---|---|---|
| SCHEMBL23838050 | 0.87 | DRD2 (0.38) | ACHEDRD2DRD3HSD11B1 | |
| SCHEMBL23838061 | 0.87 | KDM4E (0.35) | F10ACHEKMT2AMEN1NPC1 | |
| SCHEMBL20074072 | 0.84 | CYP11B2 (0.38) | DRD2DRD3HSD11B1CDK1CDK2 | |
| SCHEMBL23838085 | 0.83 | HSD11B1 (0.34) | ACHEDRD2DRD3HSD11B1CDK1 | |
| SCHEMBL20074081 | 0.83 | MAPT (0.36) | DRD2DRD3HSD11B1 | |
| SCHEMBL20072046 | 0.83 | NR1H2 (0.35) | CHRM4ACHEKMT2ADRD2DRD3 | |
| SCHEMBL23838072 | 0.82 | GPR119 (0.36) | ACHEKMT2AHSD11B1 | |
| SCHEMBL20074073 | 0.81 | HSD11B1 (0.36) | CHRM4KMT2AMEN1DRD2DRD3 | |
| SCHEMBL23838070 | 0.81 | NR1H2 (0.35) | ACHEDRD2DRD3 | |
| SCHEMBL23838083 | 0.81 | ACHE (0.38) | ACHEKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3526203-B1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-09-22 | — | — | EP | disclosed |