Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CETP | P11597 | 3/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL11040345 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11039808 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11039810 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11042577 | 0.87 | GAA (0.35) | SMN1; SMN2GAALMNA | |
| SCHEMBL11040009 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11040868 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11043536 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11037284 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11037283 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL11039064 | 0.74 | HPGD (0.40) | CYP2C19SMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0038471-B1 | BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS | Consortium für elektrochemische Industrie GmbH (DE) | 1984-11-14 | — | — | EP | disclosed |
| US-4385185-A | β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1983-05-24 | — | — | US | disclosed |
| EP-0038471-A1 | Beta-gamma-unsaturated ketones and isoprenoic dienones, process for their preparation and their use as perfume compounds and flavourings | Consortium für elektrochemische Industrie GmbH (DE) | 1981-10-28 | — | — | EP | disclosed |