Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CBS | P35520 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11766779 | 0.77 | ACHE (0.46) | ACHEHSP90AB1BACE1LTA4HTYR | |
| SCHEMBL8965235 | 0.75 | MEP1B (0.39) | — | |
| SCHEMBL8964346 | 0.74 | CA2 (0.52) | BACE1TYRCYP3A4CA12CA1 | |
| SCHEMBL8964385 | 0.73 | HSD17B10 (0.44) | ACHEPTGS2CYP3A4LCK | |
| SCHEMBL8964742 | 0.72 | ALDH1A1 (0.38) | ACHE | |
| SCHEMBL28721957 | 0.70 | HSP90AB1 (0.58) | ACHEHSP90AB1BACE1LTA4HPTGS2 | |
| SCHEMBL11111919 | 0.70 | ACHE (0.39) | ACHEHSP90AB1BACE1LTA4HPTGS2 | |
| SCHEMBL3931834 | 0.69 | ACHE (0.55) | ACHEHSP90AB1BACE1LTA4HTYR | |
| SCHEMBL8964689 | 0.69 | KDM4E (0.57) | HSP90AB1BACE1PTGS2CYP3A4CA1 | |
| SCHEMBL477986 | 0.68 | CA2 (0.58) | ACHEHSP90AB1BACE1LTA4HCA12 |
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-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |