Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 11/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.35 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6533760 | 0.81 | KCNN4 (0.33) | — | |
| SCHEMBL11092745 | 0.79 | PPARA (0.60) | PPARACYP2C9CYP1A2TTRCYP2C8 | |
| SCHEMBL7202384 | 0.78 | ELANE (0.44) | PPARATDP1 | |
| SCHEMBL6899108 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL6502073 | 0.76 | ALDH1A1 (0.44) | TSHRSMN1; SMN2TDP1 | |
| SCHEMBL6711509 | 0.75 | PPARA (0.37) | PPARACYP2C9CYP1A2TTRCYP2C8 | |
| SCHEMBL13038658 | 0.74 | PPARA (0.37) | PPARACYP2C9CYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL6532719 | 0.74 | ACLY (0.41) | PPARACYP2C9CYP1A2TTRCYP2C8 | |
| SCHEMBL25007220 | 0.71 | RIPK1 (0.38) | — | |
| SCHEMBL6692621 | 0.71 | ACLY (0.42) | PPARACYP2C9CYP1A2TTRCYP2C8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005047236-A1 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-05-26 | — | — | WO | disclosed |
| US-6673780-B2 | SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS | ESPERION THERAPEUTICS, INC. | 2004-01-06 | — | — | US | disclosed |