Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.59 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 3/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29628963 | 0.92 | BACE1 (0.53) | BACE1GSTP1TRPA1CYP2A6ABL1 | |
| SCHEMBL21076067 | 0.86 | GSTP1 (0.52) | BACE1GSTP1TRPA1CYP2A6ABL1 | |
| SCHEMBL29458373 | 0.85 | ESR1 (0.58) | BACE1GSTP1CYP2A6HDAC4HDAC2 | |
| SCHEMBL24311979 | 0.85 | ESR1 (0.58) | BACE1GSTP1CYP2A6HDAC4HDAC2 | |
| SCHEMBL25799088 | 0.84 | BACE1 (0.53) | BACE1GSTP1TRPA1CYP2A6ABL1 | |
| SCHEMBL12431877 | 0.84 | BACE1 (0.53) | BACE1GSTP1TRPA1CYP2A6ABL1 | |
| SCHEMBL25681067 | 0.84 | CYP2A6 (0.52) | BACE1GSTP1TRPA1CYP2A6ABL1 | |
| SCHEMBL30491158 | 0.84 | GSTP1 (0.70) | GSTP1CYP2A6HDAC4HDAC2HDAC8 | |
| SCHEMBL28508645 | 0.84 | GSTP1 (0.70) | GSTP1CYP2A6HDAC4HDAC2HDAC8 | |
| SCHEMBL31358639 | 0.83 | BACE1 (0.46) | BACE1GSTP1TRPA1CYP2A6ABL1 |
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-2016002921-A1 | CYCLIC AZINE COMPOUND, METHOD FOR PRODUCING SAME, AND USE OF SAME | 東ソー株式会社 | 2016-01-07 | — | — | WO | disclosed |