Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.57 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.44 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22414174 | 0.85 | ESR1 (0.47) | ESR1ESR2GSTP1MAP4K4TYK2 | |
| SCHEMBL22987051 | 0.84 | ESR1 (0.46) | ESR1ESR2MAP4K4TYK2MINK1 | |
| SCHEMBL27511439 | 0.84 | ESR1 (0.74) | ESR1ESR2CLK4BACE1CA1 | |
| SCHEMBL22414173 | 0.83 | MEN1 (0.50) | ESR1ESR2GSTP1BACE1CA12 | |
| SCHEMBL3193310 | 0.82 | GSTP1 (0.64) | ESR1ESR2GSTP1CA1CA2 | |
| SCHEMBL20313386 | 0.82 | GSTP1 (0.46) | ESR1ESR2GSTP1CA12CA1 | |
| SCHEMBL15366918 | 0.82 | ESR1 (0.43) | ESR1ESR2GSTP1HSD17B1HSD17B2 | |
| SCHEMBL25891975 | 0.82 | ESR1 (0.46) | ESR1ESR2GSTP1BACE1CA12 | |
| SCHEMBL21203617 | 0.82 | ESR1 (0.44) | ESR1ESR2GSTP1MAP4K4TYK2 | |
| SCHEMBL24377040 | 0.81 | GSTP1 (0.48) | ESR1ESR2GSTP1HSD17B1HSD17B2 |
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-2021230651-A1 | ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-11-18 | — | — | WO | disclosed |