Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192801 | 0.93 | HTT (0.42) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL9193282 | 0.86 | DHFR (0.41) | DHFRPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL9194816 | 0.84 | GABRA1 (0.40) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL9192781 | 0.83 | HTT (0.42) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL1023228 | 0.81 | NPC1 (0.55) | DHFRPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL9192095 | 0.81 | PTGS2 (0.43) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL9192220 | 0.80 | DHFR (0.42) | DHFRPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5692145 | 0.80 | DHFR (0.42) | DHFRPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL1022292 | 0.80 | HTT (0.48) | DHFRPTGS2CYP3A4NPC1HPGD | |
| SCHEMBL1021179 | 0.80 | PTGS2 (0.61) | PTGS2CYP3A4NPC1HPGDMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |