Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30879510 | 0.76 | ALDH1A1 (0.43) | TSHRALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL11451383 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL1889037 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL11859871 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL12661192 | 0.73 | LMNA (0.41) | ALDH1A1CYP3A4ALOX15TDP1EPHX2 | |
| SCHEMBL9837141 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL9418369 | 0.71 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL1784164 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL11855453 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL9410641 | 0.70 | ALDH1A1 (0.45) | ALDH1A1CYP3A4ALOX15TDP1 |
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 |