Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.67 |
| ▸ | ACHE | P22303 | 7/20 | 0.49 |
| ▸ | BCHE | P06276 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922082 | 0.94 | ESR1 (0.73) | ESR1ACHEBCHESIGMAR1 | |
| SCHEMBL6922106 | 0.93 | ESR1 (0.72) | ESR1ACHEBCHESIGMAR1 | |
| SCHEMBL6823324 | 0.91 | ESR1 (0.77) | ESR1ACHEBCHESIGMAR1 | |
| SCHEMBL6823769 | 0.88 | MAOB (0.53) | ESR1ACHEMAOBCYP19A1MAOA | |
| SCHEMBL6823204 | 0.87 | ESR1 (0.72) | ESR1ACHEBCHESIGMAR1CYP19A1 | |
| SCHEMBL6825957 | 0.83 | ESR1 (0.59) | ESR1SIGMAR1 | |
| SCHEMBL6819971 | 0.81 | ESR1 (0.63) | ESR1ACHEBCHESIGMAR1CYP19A1 | |
| SCHEMBL6823595 | 0.80 | ESR1 (0.61) | ESR1ACHEBCHESIGMAR1MAOB | |
| SCHEMBL6823220 | 0.79 | ESR1 (0.77) | ESR1 | |
| SCHEMBL6823816 | 0.79 | ALDH1A1 (0.55) | ESR1MAOBCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069820-A1 | COUMARIN DERIVATIVES HAVING AN AFFINITY FOR OESTROGEN RECEPTORS, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | B.F.B. ETUDES ET RECHERCHES EXPERIMENTALES (FR) | 2004-08-19 | — | — | WO | disclosed |