Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10109583 | 0.86 | ESR1 (0.47) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL318687 | 0.86 | ESR1 (0.47) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL5314245 | 0.84 | ESR1 (0.43) | ESR1ESR2SHBGHSD17B1DRD2 | |
| SCHEMBL318456 | 0.83 | SHBG (0.45) | ESR1ESR2SHBGHSD17B1DRD2 | |
| SCHEMBL10109562 | 0.83 | SHBG (0.45) | ESR1ESR2SHBGHSD17B1DRD2 | |
| SCHEMBL10109585 | 0.83 | ESR1 (0.50) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL318289 | 0.83 | ESR1 (0.50) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL318429 | 0.83 | ESR1 (0.47) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL10109554 | 0.83 | ESR1 (0.47) | ESR1ESR2SHBGDRD2DRD1 | |
| SCHEMBL10109352 | 0.82 | ESR2 (0.41) | ESR1ESR2SHBGDRD2DRD1 |
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-1853578-A1 | SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS | ELI LILLY AND COMPANY (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006088716-A1 | SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS | ELI LILLY AND COMPANY (US) | 2006-08-24 | — | — | WO | disclosed |