Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL435211 | 0.86 | AHR (0.48) | AHRHSD11B1 | |
| SCHEMBL434748 | 0.86 | GRM2 (0.36) | GRM2KMOEGLN2CNR1FASN | |
| SCHEMBL28297213 | 0.83 | CYP3A4 (0.39) | AHR | |
| SCHEMBL436196 | 0.81 | TTR (0.46) | GRM2CNR1ESR1ESR2APP | |
| SCHEMBL434681 | 0.79 | GRM2 (0.41) | GRM2KMOEGLN2CNR1FASN | |
| SCHEMBL17514536 | 0.79 | AHR (0.39) | GRM2KMOEGLN2CNR1FASN | |
| SCHEMBL28297202 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL17514488 | 0.79 | CTSD (0.36) | GRM2KMOEGLN2CNR1FASN | |
| SCHEMBL6017843 | 0.79 | AKR1C3 (0.36) | GRM2ESR1ESR2AKR1C3AKR1C2 | |
| SCHEMBL433164 | 0.77 | ALOX5 (0.42) | CNR1AHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |