Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | EIF4E | P06730 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.30 |
| ▸ | GCGR | P47871 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444153 | 0.85 | NISCH (0.40) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL15287382 | 0.80 | AHR (0.45) | HSD11B1NPC1RAB9AKDM4ETP53 | |
| SCHEMBL17514743 | 0.74 | NISCH (0.41) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514650 | 0.74 | HSD11B1 (0.43) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL15637369 | 0.74 | CYP2A6 (0.43) | HSD11B1NPC1RAB9AKDM4ETP53 | |
| SCHEMBL17514849 | 0.73 | KMO (0.36) | HSD11B1GRM2CLK1EIF4EFASN | |
| SCHEMBL17514758 | 0.73 | NISCH (0.40) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514576 | 0.73 | HTR5A (0.31) | — | |
| SCHEMBL17514612 | 0.72 | NISCH (0.39) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514979 | 0.72 | NISCH (0.39) | NISCHHSD11B1GRM2HTR1AHTR7 |
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-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |