Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 4/20 | 0.34 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5705353 | 0.99 | CYP2C19 (0.39) | CYP2C19HIF1ARIPK1CYP1A2CYP2D6 | |
| SCHEMBL5705432 | 0.96 | CYP2C19 (0.41) | CYP2C19HIF1ARIPK1CYP1A2CYP2D6 | |
| SCHEMBL7021868 | 0.80 | CYP2C19 (0.41) | CYP2C19HIF1ARIPK1CYP1A2CYP2D6 | |
| SCHEMBL3280257 | 0.80 | CYP2C19 (0.53) | CYP2C19HIF1ACYP1A2CYP2D6HDAC8 | |
| SCHEMBL7027001 | 0.79 | CYP2C19 (0.40) | CYP2C19HIF1AKIF11ASAH1CES2 | |
| SCHEMBL3281096 | 0.79 | CYP2C19 (0.47) | CYP2C19HIF1ACYP1A2CYP2D6HDAC8 | |
| SCHEMBL3280203 | 0.79 | CYP2C19 (0.47) | CYP2C19HIF1ACYP1A2CYP2D6KIF11 | |
| SCHEMBL3278666 | 0.79 | CYP2C19 (0.51) | CYP2C19HIF1ACYP1A2CYP2D6HDAC8 | |
| SCHEMBL3286528 | 0.77 | CYP2C19 (0.46) | CYP2C19HIF1ACYP1A2CYP2D6CES2 | |
| SCHEMBL3279434 | 0.77 | CYP2C19 (0.46) | CYP2C19HIF1ACYP1A2CYP2D6CES2 |
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 7 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-1701931-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics, Inc. (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005068412-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| EP-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030860-A9 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |