Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8619802 | 0.86 | SIRT2 (0.34) | CYP19A1 | |
| SCHEMBL8620532 | 0.86 | ESR2 (0.36) | ESR1ESR2CYP19A1 | |
| SCHEMBL8622076 | 0.84 | SIRT2 (0.40) | ESR2CYP19A1 | |
| SCHEMBL5257298 | 0.84 | GRIN1 (0.37) | ESR1ESR2 | |
| SCHEMBL8625738 | 0.82 | SIRT2 (0.42) | CYP19A1 | |
| SCHEMBL14500159 | 0.80 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL8851822 | 0.79 | — | — | |
| SCHEMBL10581919 | 0.79 | SIRT2 (0.37) | ESR2CYP19A1 | |
| SCHEMBL5697005 | 0.76 | SIRT2 (0.39) | CYP19A1 | |
| SCHEMBL4433128 | 0.76 | GRIN2D (0.38) | — |
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-5663348-A | REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1997-09-02 | — | — | US | disclosed |