Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11041858 | 1.00 | GRIK1 (0.33) | GRIK1GRIK2ALDH1A1TDP1CA2 | |
| SCHEMBL2592185 | 0.82 | ALDH1A1 (0.36) | GRIK1ALDH1A1TDP1CA2 | |
| SCHEMBL11182532 | 0.75 | CES2 (0.43) | — | |
| SCHEMBL28629863 | 0.68 | — | — | |
| SCHEMBL2438783 | 0.68 | GRIK1 (0.38) | GRIK1GRIK2ALDH1A1TDP1 | |
| SCHEMBL2438781 | 0.68 | GRIK1 (0.38) | GRIK1GRIK2ALDH1A1TDP1 | |
| SCHEMBL11040834 | 0.68 | GRIK1 (0.31) | GRIK1GRIK2 | |
| SCHEMBL2137239 | 0.65 | GRIK1 (0.38) | GRIK1GRIK2TDP1 | |
| Acetic Acid SCHEMBL30976733 | 0.65 | GRIK1 (0.44) | GRIK1GRIK2ALDH1A1TDP1 | |
| SCHEMBL216153 | 0.64 | — | — |
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-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 |