Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 6/20 | 0.37 |
| ▸ | CDC25B | P30305 | 6/20 | 0.37 |
| ▸ | CDC25C | P30307 | 5/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL3021386 | 1.00 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL2315804 | 1.00 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL704205 | 0.98 | ACHE (0.34) | ACHEBACE1CDC25ACDC25BCDC25C | |
| Hexanoate SCHEMBL27802806 | 0.86 | SCD (0.51) | CDC25ACDC25BCDC25CGPR84 | |
| SCHEMBL9992284 | 0.81 | FNTA (0.37) | — | |
| SCHEMBL7054062 | 0.80 | CYP1A2 (0.34) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL9264130 | 0.76 | ACHE (0.40) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL8780203 | 0.76 | ACHE (0.40) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL14751591 | 0.75 | GPR84 (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL11156027 | 0.74 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11246484-A | — | — | None | — | — | JP | disclosed |
| US-20080247966-A1 | Compositions and Methods to Counteract Oral Malodour | GIVAUDAN SA (CH) | 2008-10-09 | — | — | US | disclosed |
| EP-1919566-A1 | COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR | Givaudan SA (CH) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007025401-A1 | COMPOSITIONS AND METHODS TO COUNTERACT ORAL MALODOUR | GIVAUDAN SA (CH) | 2007-03-08 | — | — | WO | disclosed |
| EP-0911315-B1 | Beta-ketoester | GIVAUDAN SA (CH) | 2003-06-11 | — | — | EP | disclosed |
| 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 |
| JP-H11246484-A | BETA-KETOESTER | GIVAUDAN ROURE INTERNATL SA | 1999-09-14 | — | — | JP | disclosed |
| EP-0911315-A1 | Beta-ketoester | Givaudan Roure (International) S.A. (CH) | 1999-04-28 | — | — | EP | disclosed |