Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.43 |
| ▸ | SSTR2 | P30874 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6231092 | 0.91 | ESR1 (0.53) | CHEK2ESR1ESR2SSTR2 | |
| SCHEMBL6204189 | 0.85 | CHEK2 (0.44) | CHEK2ESR1ESR2SSTR2LTA4H | |
| SCHEMBL6233535 | 0.85 | ESR1 (0.56) | CHEK2ESR1ESR2SSTR2PTGS2 | |
| SCHEMBL6238825 | 0.84 | ESR1 (0.42) | CHEK2ESR1ESR2SSTR2PTGS2 | |
| SCHEMBL6246289 | 0.84 | CHEK2 (0.43) | CHEK2ESR1ESR2SSTR2 | |
| SCHEMBL5706380 | 0.83 | CHEK2 (0.48) | CHEK2ESR1ESR2SSTR2LTA4H | |
| SCHEMBL5706403 | 0.83 | CHEK2 (0.48) | CHEK2ESR1ESR2SSTR2LTA4H | |
| SCHEMBL6005446 | 0.83 | CHEK2 (0.44) | CHEK2ESR1ESR2SSTR2LTA4H | |
| SCHEMBL6005756 | 0.82 | CHEK2 (0.47) | CHEK2ESR1ESR2SSTR2LTA4H | |
| SCHEMBL6004732 | 0.82 | CHEK2 (0.43) | CHEK2ESR1ESR2SSTR2 |
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-1530470-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP | ELI LILLY AND COMPANY (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004009086-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | WO | disclosed |