Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 4/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11131265 | 0.89 | PDK2 (0.35) | PDK2PTPRCPTPN1ACMSDTRPA1 | |
| SCHEMBL2051091 | 0.87 | HSD11B1 (0.35) | PDK2TRPA1BACE1MAP4K4PGR | |
| SCHEMBL6668303 | 0.83 | AR (0.51) | TRPA1BACE1ARALOX5APFEN1 | |
| SCHEMBL6334161 | 0.81 | AR (0.50) | PDK2TRPA1BACE1ARALOX5AP | |
| SCHEMBL15637194 | 0.81 | ALDH1A1 (0.42) | PDK2ARPGR | |
| SCHEMBL2050766 | 0.81 | TRPA1 (0.32) | PTPN1TRPA1 | |
| SCHEMBL3583637 | 0.81 | AR (0.50) | PDK2TRPA1BACE1ARTNKS2 | |
| SCHEMBL2053317 | 0.81 | TTR (0.42) | ACMSDTRPA1ALOX5APFEN1 | |
| SCHEMBL2053032 | 0.81 | TRPA1 (0.38) | PDK2TRPA1ARALOX5APFEN1 | |
| SCHEMBL15637441 | 0.81 | ESR1 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3126335-A1 | N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-02-08 | — | — | EP | disclosed |
| EP-3113618-A1 | HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015150300-A1 | N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2015-10-08 | — | — | WO | disclosed |
| WO-2015132313-A1 | HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AG (DE) | 2015-09-11 | — | — | WO | disclosed |
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |