Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 15/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | ESR1 | P03372 | 15/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.65 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.65 |
| ▸ | ESRRG | P62508 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9098651 | 1.00 | CYP19A1 (0.72) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL9098658 | 1.00 | CYP19A1 (0.72) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL17506000 | 0.92 | CYP19A1 (0.78) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL19182067 | 0.90 | CYP19A1 (0.65) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL17523634 | 0.90 | CYP19A1 (0.65) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL9098766 | 0.87 | ESR1 (0.90) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL19195101 | 0.87 | ESR1 (0.90) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL9098770 | 0.87 | ESR1 (0.90) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL906293 | 0.87 | ESR1 (0.90) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL20841989 | 0.87 | ESR1 (0.76) | CYP19A1CYP3A4ESR1ESR2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5491173-A | ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS | ORION-YHTYMA OY (FI) | 1996-02-13 | — | — | US | disclosed |