Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6448291 | 0.81 | CYP2C19 (0.41) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 | |
| SCHEMBL6392028 | 0.79 | CYP2C19 (0.40) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 | |
| SCHEMBL3280032 | 0.77 | CYP2C19 (0.49) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 | |
| SCHEMBL6389157 | 0.77 | CYP2C19 (0.38) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 | |
| SCHEMBL3279785 | 0.76 | CYP2C19 (0.47) | CYP2C19HIF1AHDAC1HDAC3HDAC2 | |
| SCHEMBL3279295 | 0.75 | CYP2C19 (0.50) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| SCHEMBL3284019 | 0.72 | CYP2C19 (0.44) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 | |
| SCHEMBL6392645 | 0.72 | CYP2C19 (0.47) | CYP2C19HIF1AHDAC1HDAC3HDAC2 | |
| SCHEMBL6387814 | 0.72 | CYP2C19 (0.47) | CYP2C19HIF1AHDAC1HDAC3HDAC2 | |
| SCHEMBL6512880 | 0.72 | LMNA (0.39) | CYP2C19HIF1ASIGMAR1OPRM1DRD3 |
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-2005068420-A1 | UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | claimed |
| WO-2005068420-A1 | UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |