Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL17858145 | 0.94 | ESR1 (0.48) | ESR1CYP2C8CYP2C9SLC6A3KCNH2 | |
| SCHEMBL17845085 | 0.88 | ESR1 (0.38) | ESR1 | |
| SCHEMBL17845161 | 0.87 | ESR1 (0.46) | ESR1 | |
| SCHEMBL17845162 | 0.87 | ESR1 (0.46) | ESR1 | |
| SCHEMBL18162092 | 0.85 | ESR1 (0.44) | ESR1S1PR1S1PR3 | |
| SCHEMBL18162082 | 0.81 | ESR1 (0.46) | ESR1 | |
| SCHEMBL21780921 | 0.75 | PPARD (0.41) | ESR1 | |
| SCHEMBL10169722 | 0.74 | ESR1 (0.49) | ESR1 | |
| SCHEMBL17845166 | 0.74 | ESR1 (0.32) | ESR1 | |
| SCHEMBL15038140 | 0.74 | ESR1 (0.46) | ESR1 |
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-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |