Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7414836 | 0.99 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7451880 | 0.91 | HRH3 (0.51) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7445232 | 0.91 | ESR1 (0.57) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7817318 | 0.90 | ESR1 (0.48) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8589966 | 0.90 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7444427 | 0.84 | ESR1 (0.50) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7772092 | 0.84 | ESR1 (0.56) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7442275 | 0.84 | ESR1 (0.47) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7441756 | 0.83 | ESR1 (0.51) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8599886 | 0.79 | ESR1 (0.65) | ESR1ESR2ENPP3ENPP1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |