Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20313374 | 1.00 | ESR1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL17811609 | 0.98 | ESR1 (0.43) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL16385451 | 0.98 | ESR1 (0.43) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL23179379 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL23180093 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL23180087 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL23179650 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL24841654 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL23179502 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL24841540 | 0.97 | HSD17B1 (0.44) | ESR1ESR2HSD17B1HSD17B2GSTP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017116168-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | 머티어리얼사이언스 주식회사 | 2017-07-06 | — | — | WO | disclosed |