Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | EIF4E | P06730 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11444154 | 0.91 | NISCH (0.38) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL17514743 | 0.84 | NISCH (0.41) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL15637337 | 0.84 | AHR (0.59) | AHRHSD11B1NPC1RAB9AKDM4E | |
| SCHEMBL17514779 | 0.79 | NISCH (0.38) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL31067069 | 0.79 | GRM2 (0.48) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL1262207 | 0.79 | GRM2 (0.48) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL15637396 | 0.78 | CYP2A6 (0.52) | HSD11B1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL31066929 | 0.77 | GRM2 (0.47) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL3543657 | 0.76 | NISCH (0.45) | NISCHAHRHSD11B1GRM2CLK1 | |
| SCHEMBL16485938 | 0.75 | CA9 (0.38) | PDE3BPDE3AGRM5 |
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 |