Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.52 |
| ▸ | ENPP3 | O14638 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PLD2 | O14939 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | C5 | P01031 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | 0.88 | ESR1 (0.66) | ESR1ESR2ENPP3MEN1PLD2 | |
| Hydrochloric Acid SCHEMBL6767144 | 0.88 | ESR1 (0.67) | ESR1ESR2ENPP3MEN1PLD2 | |
| SCHEMBL5309771 | 0.84 | ESR1 (0.67) | ESR1ESR2MEN1PLD2KDM1A | |
| Hydrochloric Acid SCHEMBL3475007 | 0.83 | ESR1 (0.66) | ESR1ESR2MEN1PLD2KDM1A | |
| SCHEMBL5993722 | 0.82 | ESR1 (0.77) | ESR1ESR2ENPP3MEN1PLD2 | |
| SCHEMBL6763195 | 0.81 | ESR1 (0.68) | ESR1ESR2MEN1PLD2KDM1A | |
| Hydrochloric Acid SCHEMBL5941084 | 0.81 | ESR1 (0.78) | ESR1ESR2ENPP3MEN1PLD2 | |
| SCHEMBL2408164 | 0.81 | ENPP3 (0.42) | ESR1ESR2ENPP3ENPP1 | |
| SCHEMBL2408166 | 0.81 | ENPP3 (0.42) | ESR1ESR2ENPP3ENPP1 | |
| 1,2-Dichloroethane SCHEMBL6766354 | 0.80 | ESR1 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1772150-A1 | Benzothiophene formulations of a specific dosage | Eli Lilly & Company (US) | 2007-04-11 | — | — | EP | disclosed |