Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | GCLC | P48506 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7598454 | 0.86 | CA2 (0.53) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL7591890 | 0.82 | CA2 (0.53) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL7594170 | 0.81 | GABRR1 (0.48) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL184958 | 0.77 | — | — | |
| SCHEMBL14666039 | 0.77 | — | — | |
| SCHEMBL125406 | 0.77 | CA2 (0.71) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL8412733 | 0.75 | CHRM1 (0.75) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL3790981 | 0.75 | CHRM1 (0.75) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL22396459 | 0.75 | CHRM1 (0.75) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Hydrochloric Acid SCHEMBL3961856 | 0.75 | CHRM1 (0.75) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 |