Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.74 |
| ▸ | CASP1 | P29466 | 1/20 | 0.74 |
| ▸ | CASP7 | P55210 | 1/20 | 0.74 |
| ▸ | HBB | P68871 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.74 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL13304735 | 0.98 | ALDH1A1 (0.81) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL26834197 | 0.90 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL15712427 | 0.89 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL6537114 | 0.88 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL29441264 | 0.88 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL28528867 | 0.88 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| SCHEMBL28981808 | 0.88 | CYP3A4 (0.65) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| Naphthalene SCHEMBL3939830 | 0.88 | ALDH1A1 (0.89) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| Naphthalene SCHEMBL3935606 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 | |
| Naphthylamine SCHEMBL76713 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10ALOX15CASP1 |
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-3174121-A1 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Display Co., Ltd. (KR) | 2017-05-31 | — | — | EP | disclosed |