Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31112166 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL20564993 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL5147680 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL3923946 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL5146639 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL5705335 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL7025068 | 1.00 | OPRM1 (0.46) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL4775572 | 0.98 | OPRM1 (0.47) | OPRM1DRD3DRD2GAACES2 | |
| SCHEMBL27572321 | 0.93 | OPRM1 (0.49) | OPRM1DRD3DRD2CES2CES1 | |
| SCHEMBL11745181 | 0.87 | GPR84 (0.46) | CES2CES1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | claimed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | claimed |
| EP-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |