Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 11/20 | 0.46 |
| ▸ | ESR1 | P03372 | 15/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14531786 | 0.87 | ESR1 (0.48) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL4668880 | 0.81 | CYP19A1 (0.50) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL3823445 | 0.81 | CYP19A1 (0.50) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL14532137 | 0.80 | ESR1 (0.45) | CYP19A1ESR1ESR2 | |
| SCHEMBL4665860 | 0.78 | CYP19A1 (0.57) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL3813207 | 0.78 | CYP19A1 (0.57) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL14531040 | 0.78 | POLB (0.48) | CYP19A1ESR1ESR2 | |
| SCHEMBL14075688 | 0.76 | CYP19A1 (0.49) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL4667972 | 0.75 | ESR1 (0.49) | CYP19A1ESR1ESR2 | |
| SCHEMBL5052671 | 0.73 | ESR1 (0.51) | CYP19A1ESR1ESR2 |
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-2007062148-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |