Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 6/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.70 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.65 |
| ▸ | PGR | P06401 | 2/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.65 |
| ▸ | HTR2B | P41595 | 2/20 | 0.65 |
| ▸ | AR | P10275 | 8/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Bolasterone SCHEMBL10904938 | 1.00 | SHBG (1.00) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| Bolasterone SCHEMBL145066 | 1.00 | SHBG (1.00) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| Bolasterone SCHEMBL5656551 | 1.00 | SHBG (1.00) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| Calusterone SCHEMBL4509 | 1.00 | SHBG (1.00) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| Bolasterone SCHEMBL4945157 | 1.00 | SHBG (1.00) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| SCHEMBL8340651 | 0.90 | SHBG (0.82) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| SCHEMBL8340653 | 0.90 | SHBG (0.82) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| Calusterone SCHEMBL5323303 | 0.87 | SHBG (0.76) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| SCHEMBL5700143 | 0.86 | SHBG (0.76) | SHBGALDH1A1CYP19A1NR3C1PGR | |
| SCHEMBL5700149 | 0.86 | SHBG (0.76) | SHBGALDH1A1CYP19A1NR3C1PGR |
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-3956316-A | PROGESTATIONAL AND SALT-RETAINING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-05-11 | — | — | US | disclosed |