Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL4667995 | 0.93 | ESR1 (0.62) | ESR1CYP19A1ESR2 | |
| SCHEMBL4665849 | 0.88 | ESR1 (0.77) | ESR1CYP19A1ESR2 | |
| SCHEMBL3827799 | 0.87 | ESR1 (0.70) | ESR1CYP19A1ESR2PTGS2 | |
| SCHEMBL4667736 | 0.84 | ESR1 (0.58) | ESR1CYP19A1ESR2 | |
| SCHEMBL4667511 | 0.83 | ESR1 (0.59) | ESR1CYP19A1ESR2 | |
| SCHEMBL4674036 | 0.83 | ESR1 (0.69) | ESR1CYP19A1ESR2PTGS2 | |
| SCHEMBL4886143 | 0.82 | ESR1 (0.57) | ESR1ESR2PTGS2 | |
| SCHEMBL5011891 | 0.81 | ESR1 (0.53) | ESR1CYP19A1ESR2PTGS2PPARG | |
| SCHEMBL5007263 | 0.81 | KMT2A (0.57) | ESR1CYP19A1ESR2PTGS2 | |
| SCHEMBL4637991 | 0.81 | ESR1 (0.71) | ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951216-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062145-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |