Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL5172821 | 0.75 | CA2 (0.41) | SOD1STSCA2CA1CA9 | |
| SCHEMBL3845724 | 0.75 | CA2 (0.41) | SOD1STSCA2CA1CA9 | |
| SCHEMBL2214509 | 0.75 | CA2 (0.41) | SOD1STSCA2CA1CA9 | |
| SCHEMBL5149829 | 0.75 | CA2 (0.41) | SOD1STSCA2CA1CA9 | |
| SCHEMBL6232518 | 0.74 | NR3C1 (0.41) | SOD1STSNR3C1ESR1ESR2 | |
| SCHEMBL6232522 | 0.74 | NR3C1 (0.41) | SOD1STSNR3C1ESR1ESR2 | |
| SCHEMBL1829950 | 0.74 | NR3C1 (0.41) | SOD1STSNR3C1ESR1ESR2 | |
| SCHEMBL3851828 | 0.74 | CA2 (0.40) | SOD1STSCA2CA1CA9 | |
| SCHEMBL3849688 | 0.73 | SOD1 (0.35) | SOD1STSCA2CA1CA9 | |
| SCHEMBL4589116 | 0.73 | MAPK1 (0.41) | SOD1STSNR3C1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2039702-A2 | Prodrugs erbeta-selective substances, method for their production and pharmaceutical compounds containing these compositions | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-03-25 | — | — | EP | disclosed |