Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11043536 | 0.84 | ALDH1A1 (0.46) | SLC6A2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11040943 | 0.82 | SMN1; SMN2 (0.44) | CYP3A4HTTSMN1; SMN2CTSKALDH1A1 | |
| SCHEMBL11039404 | 0.78 | SLC6A4 (0.46) | L3MBTL1SLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL11040009 | 0.72 | ALDH1A1 (0.44) | SLC6A2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11039064 | 0.72 | HPGD (0.40) | CYP1A2CYP2C19LMNATHRATHRB | |
| SCHEMBL10383881 | 0.71 | SLC6A4 (0.53) | L3MBTL1SLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL11043144 | 0.71 | SMN1; SMN2 (0.41) | CYP3A4THRBHTTSMN1; SMN2CTSK | |
| SCHEMBL11039808 | 0.70 | ALDH1A1 (0.42) | SLC6A2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11039810 | 0.70 | ALDH1A1 (0.42) | SLC6A2CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11040868 | 0.70 | ALDH1A1 (0.42) | CYP3A4CYP2C9CYP2C19THRATHRB |
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 |