Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.87 |
| ▸ | ESR2 | Q92731 | 19/20 | 0.87 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | PLD2 | O14939 | 1/20 | 0.61 |
| ▸ | KDM1A | O60341 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | C5 | P01031 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.61 |
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 SCHEMBL7103336 | 0.99 | ESR1 (0.86) | ESR1ESR2MEN1PLD2KDM1A | |
| Hydrochloric Acid SCHEMBL7106595 | 0.98 | ESR1 (0.84) | ESR1ESR2MEN1ALDH1A1LMNA | |
| SCHEMBL6552026 | 0.93 | ESR1 (1.00) | ESR1ESR2MEN1PLD2KDM1A | |
| SCHEMBL7108651 | 0.93 | ESR1 (0.79) | ESR1ESR2 | |
| SCHEMBL7103407 | 0.92 | ESR1 (0.78) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7976502 | 0.92 | ESR1 (0.98) | ESR1ESR2MEN1PLD2KDM1A | |
| SCHEMBL7106179 | 0.92 | ESR1 (0.83) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7107405 | 0.92 | ESR1 (0.77) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7100898 | 0.91 | ESR1 (0.76) | ESR1ESR2 | |
| SCHEMBL3743164 | 0.91 | ESR1 (1.00) | ESR1ESR2MEN1PLD2KDM1A |
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 |