Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | MC5R | P33032 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11212437 | 0.80 | PPARA (0.43) | ALDH1A1HPGDALOX15HSD17B10CYP1A2 | |
| SCHEMBL11210180 | 0.72 | PTGS1 (0.49) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL10358349 | 0.72 | HPGD (0.58) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL11207374 | 0.71 | TDP1 (0.43) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL11211316 | 0.71 | PTGS1 (0.43) | ALDH1A1TDP1CYP1A2MAPTHTT | |
| SCHEMBL9357754 | 0.70 | HPGD (0.59) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL2634521 | 0.69 | HPGD (0.54) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL10358647 | 0.69 | ALDH1A1 (0.54) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL9357068 | 0.68 | HPGD (0.56) | ALDH1A1HPGDALOX15HSD17B10TDP1 | |
| SCHEMBL27404785 | 0.67 | APEX1 (0.51) | ALDH1A1HPGDALOX15HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0025262-B1 | ALPHA-THIO-ALPHA-ARYL-SUBSTITUTED ALKANONITRILES, PROCESS FOR THEIR PREPARATION, PROCESS FOR PREPARING ALPHA-ARYL-SUBSTITUTED ALKANONITRILES AND THE CORRESPONDING CARBOXYLIC ACIDS THEREFROM AND PROCESS FOR PREPARING INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1983-10-05 | — | — | EP | disclosed |
| US-4340740-A | Alpha-thio-alpha-aryl-substituted alkanonitrile and process for preparing alpha-aryl-substituted alkanonitrile therefrom | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-07-20 | — | — | US | disclosed |
| EP-0025262-A2 | Alpha-thio-alpha-aryl-substituted alkanonitriles, process for their preparation, process for preparing alpha-aryl-substituted alkanonitriles and the corresponding carboxylic acids therefrom and process for preparing intermediates | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-03-18 | — | — | EP | disclosed |