Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA9 | Q16790 | 7/20 | 0.46 |
| ▸ | STS | P08842 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27561893 | 0.81 | GABRA1 (0.44) | CA1CA2CA9CA12 | |
| SCHEMBL8898620 | 0.80 | CA1 (0.50) | CA1CA2CA9STSCA12 | |
| SCHEMBL8175444 | 0.80 | CA2 (0.39) | CA1CA2CA9STSCA12 | |
| SCHEMBL27564440 | 0.79 | CA2 (0.41) | CA1CA2CA9CA12 | |
| SCHEMBL8495954 | 0.79 | FABP4 (0.48) | CA1CA2CA9CA12 | |
| SCHEMBL27561891 | 0.77 | CA2 (0.45) | CA1CA2CA9 | |
| SCHEMBL27582518 | 0.77 | CA2 (0.58) | CA1CA2CA9CA12 | |
| SCHEMBL27561967 | 0.77 | CA1 (0.40) | CA1CA2CA9CA12 | |
| SCHEMBL11791229 | 0.77 | FABP4 (0.39) | CA1CA2CA9CA12 | |
| SCHEMBL27561904 | 0.76 | CA2 (0.48) | CA1CA2CA9STSCA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6093744-A | USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 2000-07-25 | — | — | US | disclosed |