Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | GSK3B | P49841 | 3/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phenacyl Chloride SCHEMBL4459422 | 0.88 | ALDH1A1 (0.70) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Valine SCHEMBL9830598 | 0.85 | SLC7A5 (0.52) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Benzoyl Chloride SCHEMBL8782027 | 0.81 | SLC7A5 (0.56) | ALDH1A1MAPK1SLC7A5TSHRSMN1; SMN2 | |
| Benzoic Acid SCHEMBL5792949 | 0.80 | SLC7A5 (0.60) | ALDH1A1SLC7A5TSHRSMN1; SMN2LMNA | |
| Benzophenone SCHEMBL11351378 | 0.80 | SLC7A5 (0.60) | ALDH1A1MAPK1HIF1ASLC7A5SMN1; SMN2 | |
| Phenacyl Chloride SCHEMBL2314766 | 0.80 | ALDH1A1 (1.00) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL55444 | 0.80 | ALDH1A1 (1.00) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Acetophenone SCHEMBL10591742 | 0.79 | SLC7A5 (0.58) | ALDH1A1SLC7A5SMN1; SMN2LMNAMAPT | |
| Valine SCHEMBL6473828 | 0.79 | SLC7A5 (0.58) | ALDH1A1MAPK1SLC7A5TSHRSMN1; SMN2 | |
| Phenacyl Chloride SCHEMBL27980271 | 0.78 | GSK3B (0.79) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5945382-A | AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS | RHONE-POULENC AGROCHIMIE (FR) | 1999-08-31 | — | — | US | disclosed |
| EP-0638070-A1 | FUNGICIDAL ARYLPYRAZOLES | RHONE-POULENC AGROCHIMIE (FR) | 1995-02-15 | — | — | EP | disclosed |
| WO-1993022287-A1 | FUNGICIDAL ARYLPYRAZOLES | RHONE POULENC AGROCHIMIE (FR) | 1993-11-11 | — | — | WO | disclosed |
| WO-1989009771-A1 | NOVEL 1-ARYL-1-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIHYDROISOBENZOFURANS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1989-10-19 | — | — | WO | disclosed |
| EP-0337019-A1 | Novel 1-aryl-1-(1H-imidazol-1'-yl methyl)-1,3-dihydroisobenzofurans, their preparation and pharmaceutical compositions containing them. | SCHERING CORPORATION (US) | 1989-10-18 | — | — | EP | disclosed |