Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 17/20 | 0.49 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6773068 | 0.85 | ESR1 (0.66) | ESR1ESR2ENPP3ENPP1 | |
| Hydrochloric Acid SCHEMBL6767144 | 0.84 | ESR1 (0.67) | ESR1ESR2ENPP3ENPP1 | |
| SCHEMBL6152840 | 0.83 | ESR1 (0.49) | ESR1ESR2CHEK2 | |
| SCHEMBL5419626 | 0.82 | ESR1 (0.72) | ESR1ESR2ENPP3ENPP1 | |
| SCHEMBL6153041 | 0.81 | ESR1 (0.49) | ESR1ESR2ENPP3ENPP1CHEK2 | |
| SCHEMBL6197784 | 0.80 | ESR1 (0.45) | ESR1ESR2ENPP3ENPP1CHEK2 | |
| SCHEMBL5706945 | 0.80 | ESR1 (0.51) | ESR1ESR2ENPP3ENPP1CHEK2 | |
| Hydrochloric Acid SCHEMBL5706883 | 0.79 | ESR1 (0.51) | ESR1ESR2ENPP3ENPP1CHEK2 | |
| SCHEMBL5165217 | 0.76 | ESR1 (0.52) | ESR1ESR2ENPP3ENPP1 | |
| SCHEMBL5309771 | 0.76 | ESR1 (0.67) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551822-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2005-07-13 | — | — | EP | claimed |
| WO-2004009578-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | WO | claimed |
| EP-1551822-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009578-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | WO | disclosed |