Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | SSTR2 | P30874 | 6/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6005134 | 0.94 | ESR1 (0.42) | ESR1ESR2LTA4HCHEK2SSTR2 | |
| SCHEMBL6003243 | 0.92 | ESR1 (0.41) | ESR1ESR2LTA4HCHEK2SSTR2 | |
| SCHEMBL6005667 | 0.92 | ESR1 (0.40) | ESR1ESR2LTA4HCHEK2SSTR2 | |
| SCHEMBL6005517 | 0.91 | ESR1 (0.41) | ESR1ESR2LTA4HCHEK2SSTR2 | |
| Hydrochloric Acid SCHEMBL6005706 | 0.84 | ESR1 (0.54) | ESR1ESR2LTA4H | |
| Hydrochloric Acid SCHEMBL6004917 | 0.83 | ESR1 (0.50) | ESR1ESR2LTA4HCHEK2SSTR2 | |
| SCHEMBL6004626 | 0.83 | CHEK2 (0.44) | ESR1ESR2LTA4HCHEK2 | |
| Hydrochloric Acid SCHEMBL6003391 | 0.82 | CHEK2 (0.43) | ESR1ESR2LTA4HCHEK2 | |
| SCHEMBL6005357 | 0.82 | CHEK2 (0.43) | ESR1ESR2LTA4HCHEK2 | |
| SCHEMBL1359731 | 0.81 | ESR1 (0.60) | ESR1ESR2 |
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-1709021-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS | ELI LILLY AND COMPANY (US) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005073204-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS | ELI LILLY AND COMPANY (US) | 2005-08-11 | — | — | WO | disclosed |