Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19752162 | 0.94 | MAOA (0.54) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL7905146 | 0.88 | ESR1 (0.65) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL29303802 | 0.87 | MAOA (0.61) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL978013 | 0.84 | MAOA (0.64) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL30469312 | 0.84 | MAOA (0.64) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL6537114 | 0.84 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL28981808 | 0.84 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL13304735 | 0.84 | ALDH1A1 (0.81) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL28528867 | 0.84 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 | |
| SCHEMBL29441264 | 0.84 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3010065-A1 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2016-04-20 | — | — | EP | disclosed |