Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.61 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.52 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101221 | 0.96 | ESR1 (0.66) | ESR1ESR2ITGA4 | |
| Hydrochloric Acid SCHEMBL7103199 | 0.95 | ESR1 (0.65) | ESR1ESR2ITGA4 | |
| Hydrochloric Acid SCHEMBL6551013 | 0.87 | ESR1 (0.70) | ESR1ESR2HRH3ITGA4HRH1 | |
| SCHEMBL7106179 | 0.85 | ESR1 (0.83) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7100901 | 0.85 | ESR1 (0.82) | ESR1ESR2ALDH1A1KMT2A | |
| SCHEMBL7103407 | 0.84 | ESR1 (0.78) | ESR1ESR2ITGA4 | |
| Hydrochloric Acid SCHEMBL6552056 | 0.84 | ESR1 (0.78) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7926834 | 0.83 | ESR1 (0.78) | ESR1ESR2 | |
| SCHEMBL7106562 | 0.83 | ITGA4 (0.58) | ESR1ESR2ITGA4NAPEPLDKDM4E | |
| SCHEMBL7101962 | 0.83 | ITGA4 (0.58) | ESR1ESR2ITGA4NAPEPLDKDM4E |
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-0827959-B1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | LILLY CO ELI (US) | 2003-12-03 | — | — | EP | disclosed |
| US-5977382-A | Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| US-5977098-A | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0827959-A2 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1998-03-11 | — | — | EP | disclosed |