Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 7/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13129267 | 0.86 | APP (0.61) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL12277767 | 0.85 | APP (0.41) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL13299932 | 0.84 | APP (0.49) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL12278434 | 0.83 | APP (0.42) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL12278472 | 0.83 | APP (0.42) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL12277822 | 0.83 | APP (0.42) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL9976850 | 0.82 | APP (0.50) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL26535753 | 0.80 | HSD17B1 (0.65) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL13299929 | 0.80 | ESR1 (0.59) | APPHSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL13615832 | 0.78 | APP (0.56) | APPHSD17B1HSD17B2ESR1ESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3120396-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2021-06-02 | — | — | EP | disclosed |
| US-20170092875-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2017-03-30 | — | — | US | disclosed |
| US-20170092875-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2017-03-30 | — | — | US | disclosed |
| WO-2015139808-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | WO | disclosed |