Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6258498 | 0.78 | AKR1C3 (0.46) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL4590088 | 0.73 | SMN1; SMN2 (0.42) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL5677969 | 0.67 | SMN1; SMN2 (0.67) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL6536200 | 0.66 | ESR1 (0.46) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL3845560 | 0.65 | PTPN2 (0.36) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL15295782 | 0.63 | CYP3A4 (0.61) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL8775770 | 0.62 | AKR1C3 (0.56) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL4589116 | 0.62 | MAPK1 (0.41) | AKR1C3TP53CYP3A4MAPTLMNA | |
| SCHEMBL15295783 | 0.61 | STS (0.57) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT | |
| SCHEMBL9746981 | 0.61 | AKR1C3 (0.54) | AKR1C3SMN1; SMN2TP53CYP3A4MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144431-B1 | 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS | SCHERING AG (DE) | 2005-12-21 | — | — | EP | disclosed |
| EP-1580192-A2 | 16-Hydroxyestratrienes as selective estrogens | Schering AG (DE) | 2005-09-28 | — | — | EP | disclosed |