Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.42 |
| ▸ | PGR | P06401 | 4/20 | 0.41 |
| ▸ | SHBG | P04278 | 2/20 | 0.37 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3358546 | 0.85 | PGR (0.40) | CYP19A1PGRSHBGSERPINA6SLC22A1 | |
| SCHEMBL4013302 | 0.84 | CYP19A1 (0.44) | CYP19A1PGRSHBGSERPINA6SLC22A1 | |
| SCHEMBL9948621 | 0.84 | CYP19A1 (0.44) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL6301566 | 0.83 | CYP19A1 (0.44) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL3356884 | 0.83 | CYP19A1 (0.44) | CYP19A1SHBGSERPINA6SLC22A1ALDH1A1 | |
| SCHEMBL8209833 | 0.82 | CYP19A1 (0.59) | CYP19A1SHBGSERPINA6ALDH1A1 | |
| SCHEMBL9948717 | 0.81 | CYP19A1 (0.41) | CYP19A1PGRSHBGSERPINA6SLC22A1 | |
| SCHEMBL29496903 | 0.80 | SHBG (0.61) | CYP19A1PGRSHBGSERPINA6SLC22A1 | |
| SCHEMBL7705294 | 0.80 | SHBG (0.61) | CYP19A1PGRSHBGSERPINA6SLC22A1 | |
| SCHEMBL5552057 | 0.80 | SHBG (0.61) | CYP19A1PGRSHBGSERPINA6SLC22A1 |
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-8207150-B2 | 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative | Bayer Pharma AG (DE) | 2012-06-26 | — | — | US | disclosed |