Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493749 | 1.00 | PTGS1 (0.44) | PTGS1PTGS2PPARGPPARABACE1 | |
| SCHEMBL14604967 | 0.82 | PTGS1 (0.47) | PTGS1PTGS2PPARGPPARABACE1 | |
| SCHEMBL16050420 | 0.81 | PTGS1 (0.31) | PTGS1PTGS2 | |
| SCHEMBL16050422 | 0.81 | PTGS1 (0.31) | PTGS1PTGS2 | |
| SCHEMBL16050476 | 0.79 | THRB (0.35) | PTGS1PTGS2PPARGBACE1 | |
| SCHEMBL16050474 | 0.79 | THRB (0.35) | PTGS1PTGS2PPARGBACE1 | |
| SCHEMBL25856442 | 0.78 | NFE2L2 (0.50) | PTGS1PTGS2NFE2L2 | |
| SCHEMBL22808155 | 0.75 | HSP90AB1 (0.43) | PTGS1BACE1NFE2L2 | |
| SCHEMBL7911280 | 0.74 | TLR4 (0.33) | PTGS1PTGS2 | |
| SCHEMBL7911274 | 0.74 | TLR4 (0.33) | PTGS1PTGS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |
| EP-0329752-B1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |
| EP-0502154-A1 | FLUOROBENZENE DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-09-09 | — | — | EP | disclosed |
| WO-1992005230-A2 | FLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1992-04-02 | — | — | WO | disclosed |
| EP-0329752-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1989-08-30 | — | — | EP | disclosed |
| WO-1989002425-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-03-23 | — | — | WO | disclosed |