Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.48 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11214016 | 0.81 | MAPT (0.55) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL28535356 | 0.81 | MAPT (0.39) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL11211316 | 0.77 | PTGS1 (0.43) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL10396963 | 0.76 | AKR1C3 (0.41) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL9474712 | 0.76 | LMNA (0.53) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL11206682 | 0.74 | MAPT (0.47) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL687542 | 0.74 | MAPT (0.64) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL11212256 | 0.72 | HPGD (0.50) | ALDH1A1LMNAMAPTHTTMEN1 | |
| SCHEMBL11212437 | 0.72 | PPARA (0.43) | ALDH1A1LMNAMAPTSMN1; SMN2PTGS1 | |
| SCHEMBL9753175 | 0.72 | TSHR (0.58) | ALDH1A1LMNAMAPTHTTMEN1 |
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 |