Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9049616 | 0.84 | PTGS1 (0.53) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL11211316 | 0.80 | PTGS1 (0.43) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL9493266 | 0.79 | TSHR (0.46) | MEN1KMT2AALDH1A1AKR1C3TSHR | |
| SCHEMBL7035268 | 0.79 | PTGS1 (0.57) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL31542598 | 0.79 | PTGS1 (0.57) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL24106552 | 0.79 | PTGS1 (0.57) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL15978566 | 0.79 | PTGS1 (0.57) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL9664012 | 0.78 | ALOX5 (0.55) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL4449688 | 0.77 | PTGS1 (0.50) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL13886757 | 0.77 | PTGS1 (0.50) | PTGS1MEN1KMT2ACYP2D6ALOX5 |
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 |