Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | STS | P08842 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8988145 | 0.83 | SHBG (0.36) | STSSHBGMAPT | |
| SCHEMBL8969620 | 0.82 | CYP19A1 (0.54) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| SCHEMBL5496012 | 0.78 | CYP19A1 (0.49) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| SCHEMBL8775986 | 0.77 | CYP3A4 (0.54) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL1657631 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL8089798 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL12364585 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL13216952 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL12364346 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS | |
| Almestrone SCHEMBL5983577 | 0.72 | CYP19A1 (0.65) | CYP19A1HSD17B1ESR1CYP3A4STS |
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-0719276-A1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-07-03 | — | — | EP | disclosed |