Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ESRRB | O95718 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL12088542 | 0.84 | ALOX15 (0.39) | ALOX15GRIK1GRIK2SMN1; SMN2ESRRB | |
| SCHEMBL10655821 | 0.84 | ALOX15 (0.39) | ALOX15GRIK1GRIK2SMN1; SMN2ESRRB | |
| SCHEMBL7698557 | 0.84 | ALDH1A1 (0.37) | ALOX15GRIK1GRIK2SMN1; SMN2ALDH1A1 | |
| SCHEMBL7702803 | 0.81 | ALOX15 (0.36) | ALOX15GRIK1GRIK2CA14ALDH1A1 | |
| SCHEMBL3668813 | 0.79 | GRIK1 (0.35) | ALOX15GRIK1GRIK2 | |
| SCHEMBL2439848 | 0.76 | GRIK1 (0.38) | ALOX15GRIK1GRIK2ALDH1A1 | |
| SCHEMBL13287299 | 0.76 | GRIK1 (0.38) | ALOX15GRIK1GRIK2ALDH1A1 | |
| SCHEMBL3675154 | 0.76 | GRIK1 (0.33) | GRIK1GRIK2 | |
| SCHEMBL4740790 | 0.74 | FNTA (0.41) | ALOX15GRIK1GRIK2SMN1; SMN2CA14 | |
| SCHEMBL1920162 | 0.72 | SMN1; SMN2 (0.48) | SMN1; SMN2CA14ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348618-B1 | PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2002-02-19 | — | — | US | disclosed |
| US-6222062-B1 | USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-04-24 | — | — | US | disclosed |
| EP-1090624-A2 | Beta ketoester | Givaudan SA (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0911315-A1 | Beta-ketoester | Givaudan Roure (International) S.A. (CH) | 1999-04-28 | — | — | EP | disclosed |