Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192781 | 0.89 | HTT (0.42) | PTGS2CYP3A4ALOX5NPC1HPGD | |
| SCHEMBL9306738 | 0.86 | DHFR (0.40) | DHFRPTGS2CYP3A4ALOX5NPC1 | |
| SCHEMBL9192220 | 0.83 | DHFR (0.42) | DHFRHMGCRPTGS2CYP3A4ALOX5 | |
| SCHEMBL5692145 | 0.83 | DHFR (0.42) | DHFRHMGCRPTGS2CYP3A4ALOX5 | |
| SCHEMBL1023215 | 0.82 | DHFR (0.45) | DHFRHMGCRPTGS2CYP3A4ALOX5 | |
| SCHEMBL9303314 | 0.81 | GABRA1 (0.43) | ALOX5GABRA1GABRB2 | |
| SCHEMBL7335230 | 0.80 | DHFR (0.42) | DHFRHMGCRPTGS2CYP3A4ALOX5 | |
| SCHEMBL9192801 | 0.79 | HTT (0.42) | PTGS2CYP3A4ALOX5NPC1HPGD | |
| SCHEMBL10595573 | 0.78 | PTGS2 (0.48) | DHFRHMGCRPTGS2CYP3A4ALOX5 | |
| SCHEMBL9189863 | 0.77 | PTGS1 (0.47) | PTGS2ALOX5NPC1HPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0464844-B1 | Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants | MERRELL DOW PHARMA (US) | 1995-12-27 | — | — | EP | disclosed |
| US-5304668-A | Bis-[4-(2,6-di-alkyl)phenolisilane derivatives as antiatherosclerotic agents | MERRELL DOW PHARMACEUTICALS (US) | 1994-04-19 | — | — | US | disclosed |
| US-5281738-A | Anticholesterol agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0464844-A1 | Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | disclosed |