Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.74 |
| ▸ | CA2 | P00918 | 3/20 | 0.74 |
| ▸ | CA9 | Q16790 | 3/20 | 0.74 |
| ▸ | CA5A | P35218 | 2/20 | 0.74 |
| ▸ | STS | P08842 | 9/20 | 0.72 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | ESR1 | P03372 | 2/20 | 0.72 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.72 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.72 |
| ▸ | SHBG | P04278 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | PGR | P06401 | 1/20 | 0.72 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.72 |
| ▸ | AR | P10275 | 1/20 | 0.72 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL15625964 | 0.91 | CA1 (0.72) | CA1CA2CA9CA5ASTS | |
| SCHEMBL10481850 | 0.89 | CA1 (0.73) | CA1CA2CA9CA5ASTS | |
| SCHEMBL15307861 | 0.89 | STS (0.74) | CA1CA2CA9CA5ASTS | |
| SCHEMBL13216961 | 0.89 | STS (0.74) | CA1CA2CA9CA5ASTS | |
| SCHEMBL10080238 | 0.89 | STS (0.74) | CA1CA2CA9CA5ASTS | |
| SCHEMBL15307860 | 0.89 | STS (0.74) | CA1CA2CA9CA5ASTS | |
| SCHEMBL31321075 | 0.87 | CA1 (0.70) | CA1CA2CA9CA5ASTS | |
| SCHEMBL8649296 | 0.87 | CA1 (0.57) | CA1CA2CA9CA5ASTS | |
| SCHEMBL16148802 | 0.86 | STS (0.70) | CA1CA2CA9CA5ASTS | |
| SCHEMBL4060949 | 0.86 | CA1 (0.69) | CA1CA2CA9CA5ASTS |
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-6503896-B1 | 17-Desoxy-1,3,5-estratriene derivatives; postmenopause, osteoporosis, central nervous system disorders; anticarcinogenic and hypotensive agents | SRI INTERNATIONAL | 2003-01-07 | — | — | US | disclosed |