Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8330697 | 0.87 | ALDH1A1 (0.41) | TSHRALOX15MAPK1ALDH1A1MEN1 | |
| SCHEMBL30597491 | 0.74 | MEN1 (0.49) | TSHRALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL21673038 | 0.73 | MEN1 (0.47) | TSHRALOX15MAPK1ALDH1A1MEN1 | |
| SCHEMBL5683303 | 0.73 | MEN1 (0.47) | TSHRALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL7666958 | 0.73 | MEN1 (0.47) | TSHRALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL1244477 | 0.73 | MEN1 (0.47) | TSHRALOX15MAPK1ALDH1A1MEN1 | |
| SCHEMBL1196232 | 0.71 | ALDH1A1 (0.40) | TSHRALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL20969493 | 0.70 | ALDH1A1 (0.39) | TSHRALDH1A1MEN1KMT2ATGFBR1 | |
| SCHEMBL20969489 | 0.70 | ALDH1A1 (0.39) | TSHRALDH1A1MEN1KMT2ATGFBR1 | |
| SCHEMBL20969207 | 0.68 | MEN1 (0.40) | ALDH1A1MEN1KMT2ATGFBR1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |