Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28114452 | 0.76 | ESR2 (0.46) | ESR2LMNAALDH1A1CYP3A4BRD4 | |
| SCHEMBL4621828 | 0.72 | ESR2 (0.43) | ESR2LMNAALDH1A1CYP3A4TSHR | |
| SCHEMBL7212449 | 0.71 | ESR2 (0.42) | ESR2LMNAALDH1A1CYP3A4TSHR | |
| SCHEMBL7073390 | 0.71 | GAA (0.42) | ESR2LMNAALDH1A1CYP3A4TSHR | |
| SCHEMBL17049180 | 0.70 | ESR2 (0.39) | ESR2LMNAALDH1A1CYP3A4TSHR | |
| SCHEMBL27725432 | 0.70 | ESR2 (0.73) | ESR2LMNAALDH1A1BRD4CREBBP | |
| SCHEMBL3412848 | 0.69 | NQO2 (0.44) | ESR2LMNATSHRCYP2D6 | |
| SCHEMBL17049187 | 0.68 | KDM4E (0.50) | ESR2LMNAALDH1A1TSHRMAPT | |
| SCHEMBL17413603 | 0.68 | GAA (0.64) | ESR2MAPTOPRK1 | |
| SCHEMBL17055844 | 0.68 | ESR2 (0.36) | ESR2LMNAALDH1A1CYP3A4TSHR |
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 |