Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 1.00 |
| ▸ | SERPINA6 | P08185 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | SHBG | P04278 | 4/20 | 0.63 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.57 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL14871417 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL11627782 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL16387354 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL20088312 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL868884 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL17831183 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL11632217 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL12413521 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL21807725 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 | |
| SCHEMBL30875868 | 1.00 | CYP19A1 (1.00) | CYP19A1SERPINA6ALDH1A1SHBGSLC22A1 |
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-2794632-B1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA SAU (ES) | 2016-03-16 | — | — | EP | disclosed |