Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514259 | 0.75 | TRPA1 (0.36) | TRPA1RIPK1TAAR1 | |
| SCHEMBL12809631 | 0.72 | TYR (0.43) | — | |
| SCHEMBL25042522 | 0.67 | DPP4 (0.38) | — | |
| SCHEMBL5379147 | 0.66 | RIPK1 (0.52) | TRPA1RIPK1TAAR1 | |
| SCHEMBL24796605 | 0.65 | GPR84 (0.48) | — | |
| SCHEMBL11367165 | 0.65 | SMN1; SMN2 (0.37) | — | |
| Hydrogen Peroxide SCHEMBL2352490 | 0.64 | RIPK1 (0.53) | TRPA1RIPK1TAAR1 | |
| SCHEMBL624310 | 0.64 | TRPA1 (0.60) | TRPA1RIPK1TAAR1 | |
| SCHEMBL30148108 | 0.64 | TRPA1 (0.60) | TRPA1RIPK1TAAR1 | |
| SCHEMBL6280516 | 0.63 | RIPK1 (0.67) | TRPA1RIPK1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005068418-A1 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| EP-1363879-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002030884-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |