Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.64 |
| ▸ | CES2 | O00748 | 5/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.46 |
| ▸ | PPARD | Q03181 | 6/20 | 0.46 |
| ▸ | PPARA | Q07869 | 6/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2355213 | 0.93 | CES1 (0.62) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL8436673 | 0.88 | CES1 (0.67) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL30762095 | 0.86 | CES2 (0.68) | CES1CES2GPR84PPARGPPARD | |
| SCHEMBL9074296 | 0.86 | CES2 (0.68) | CES1CES2GPR84PPARGPPARD | |
| SCHEMBL21981556 | 0.86 | CES2 (0.68) | CES1CES2GPR84PPARGPPARD | |
| SCHEMBL15309037 | 0.79 | CES2 (0.58) | CES1CES2GPR84PPARGPPARD | |
| SCHEMBL3293052 | 0.79 | CES1 (1.00) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL24327163 | 0.79 | CES2 (0.58) | CES1CES2GPR84PPARGPPARD | |
| SCHEMBL10785837 | 0.79 | CES2 (0.54) | CES1CES2AKR1B1GPR84PPARG | |
| SCHEMBL7115035 | 0.78 | CES2 (0.67) | CES1CES2AKR1B1GPR84PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-100400533-C | Valerolactone compounds and perfume compositions | KAO CORP (JP) | 2008-07-09 | — | — | CN | disclosed |
| CN-1684949-A | Valerolactone compounds and perfume composition | KAO CORP (JP) | 2005-10-19 | — | — | CN | disclosed |