Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 15/20 | 0.61 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28880095 | 0.81 | ESR2 (0.63) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3809909 | 0.79 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1865798 | 0.79 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1986271 | 0.79 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3811445 | 0.79 | ESR2 (0.81) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL18763340 | 0.79 | ESR2 (0.61) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL13783635 | 0.79 | QDPR (0.65) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL96849 | 0.78 | SLC18A3 (0.55) | CYP2C9CYP2D6 | |
| SCHEMBL605342 | 0.76 | ESR2 (1.00) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL178486 | 0.76 | ESR2 (1.00) | ESR2ESR1CYP3A4CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1615305-A | Coumarin derivatives, process for their production and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2005-05-11 | — | — | CN | disclosed |