Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | EIF4E | P06730 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL17514615 | 0.87 | NISCH (0.38) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514844 | 0.85 | NISCH (0.39) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL1274817 | 0.81 | AHR (0.44) | HSD11B1NPC1RAB9AHPGDKDM4E | |
| SCHEMBL27743812 | 0.81 | — | — | |
| SCHEMBL9734412 | 0.76 | AHR (0.44) | HSD11B1RAB9AHPGDKDM4ETP53 | |
| SCHEMBL17514905 | 0.76 | KMO (0.35) | HSD11B1GRM2NPC1RAB9AKDM4E | |
| SCHEMBL17514652 | 0.76 | NISCH (0.38) | NISCHHSD11B1GRM2PDE3BPDE3A | |
| SCHEMBL17514717 | 0.76 | NISCH (0.40) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514761 | 0.74 | NISCH (0.39) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL17514979 | 0.74 | 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 |