Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.48 |
| ▸ | SOD1 | P00441 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | STS | P08842 | 2/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15945865 | 0.81 | ESR1 (0.74) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL6260842 | 0.81 | ESR1 (0.49) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL5682088 | 0.81 | ESR1 (0.49) | SHBGESR1ESR2NR3C1SOD1 | |
| Methoxymethane SCHEMBL11788049 | 0.78 | ESR1 (0.69) | SHBGESR1ESR2NR3C1SOD1 | |
| Bicarbonate SCHEMBL7026810 | 0.77 | SOD1 (0.54) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL7213772 | 0.75 | SHBG (0.44) | SHBGESR1ESR2HSD17B1STS | |
| SCHEMBL24074080 | 0.74 | ESR1 (0.50) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL14285002 | 0.74 | ESR1 (0.55) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL6264561 | 0.74 | SOD1 (0.46) | SHBGESR1ESR2NR3C1SOD1 | |
| SCHEMBL6250110 | 0.74 | SOD1 (0.46) | SHBGESR1ESR2NR3C1SOD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002068548-A9 | USE OF ERSS-SELECTIVE LIGANDS FOR REGULATING FERTILITY AND COMPOUNDS USEFUL THEREFORE | SCHERING AG (DE) | 2003-02-20 | — | — | WO | disclosed |