Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694877 | 1.00 | MGAM (0.46) | MGAMGAASIMGAM2ADORA3 | |
| SCHEMBL7204652 | 0.90 | ADORA3 (0.42) | MGAMGAASIMGAM2ADORA3 | |
| SCHEMBL8084130 | 0.90 | ADORA3 (0.42) | MGAMGAASIMGAM2ADORA3 | |
| SCHEMBL7204654 | 0.90 | ADORA3 (0.42) | MGAMGAASIMGAM2ADORA3 | |
| SCHEMBL2774150 | 0.87 | NAAA (0.47) | GAAADORA3NR1I2PTGS2PGR | |
| SCHEMBL22832723 | 0.87 | ADORA3 (0.55) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL22832722 | 0.87 | ADORA3 (0.55) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL649880 | 0.87 | NAAA (0.47) | GAAADORA3NR1I2PTGS2PGR | |
| SCHEMBL649881 | 0.87 | NAAA (0.47) | GAAADORA3NR1I2PTGS2PGR | |
| SCHEMBL16568217 | 0.87 | ADORA3 (0.55) | ADORA3NR1I2PTGS2PGRPDE4D |
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 |