Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 7/20 | 0.43 |
| ▸ | PPARD | Q03181 | 7/20 | 0.43 |
| ▸ | PPARA | Q07869 | 7/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7591895 | 0.89 | ALDH1A1 (0.46) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL585258 | 0.85 | ALDH1A1 (0.46) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL585651 | 0.82 | ALDH1A1 (0.47) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL7595792 | 0.81 | ALDH1A1 (0.43) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL18525135 | 0.79 | ALDH1A1 (0.44) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL28216532 | 0.79 | AKR1B1 (0.48) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL7599295 | 0.79 | ALDH1A1 (0.41) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL18525139 | 0.78 | AKR1B1 (0.47) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| SCHEMBL9103969 | 0.78 | GPR84 (0.47) | GPR84PPARDFFAR1FFAR4 | |
| SCHEMBL6909691 | 0.78 | GPR84 (0.47) | GPR84PPARDFFAR1FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0826763-B1 | Use of 3-acylthioesters as flavouring or perfuming agents | HAARMANN & REIMER GMBH (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-0826763-A2 | Use of 3-acylthioesters as flavouring or perfuming agents | HAARMANN & REIMER GMBH (DE) | 1998-03-04 | — | — | EP | disclosed |