Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20214124 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL7132014 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL6231957 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL20214720 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL2358334 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL3020728 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL3018149 | 0.91 | ESR1 (0.55) | ESR1ESR2HSD17B1PPARGPPARA | |
| SCHEMBL18487247 | 0.89 | NQO2 (0.40) | ESR1ESR2CYP19A1 | |
| SCHEMBL5788377 | 0.82 | ESR1 (0.52) | ESR1ESR2PPARGPPARA | |
| SCHEMBL14413299 | 0.80 | ESR1 (0.51) | ESR1ESR2HSD17B1SIGMAR1CYP19A1 |
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-0971878-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998038156-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-03 | — | — | WO | disclosed |