Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL7594632 | 0.82 | ACE2 (0.47) | GABRR1ACE2CYP1A2CHRM1AKR1A1 | |
| SCHEMBL7598680 | 0.81 | CA2 (0.52) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Acetic Acid SCHEMBL15141452 | 0.78 | GABRR1 (0.54) | GABRR1ACE2CYP1A2CHRM1AKR1A1 | |
| SCHEMBL7598454 | 0.78 | CA2 (0.53) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL5747303 | 0.78 | — | — | |
| SCHEMBL17449760 | 0.78 | — | — | |
| SCHEMBL29281967 | 0.78 | GABRR1 (0.59) | GABRR1ACE2CYP1A2CHRM1AKR1A1 | |
| SCHEMBL3136028 | 0.78 | — | — | |
| SCHEMBL148477 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28498892 | 0.78 | CHRM1 (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 |