Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17514717 | 0.89 | NISCH (0.40) | NISCHPDE3BPDE3AHSD11B1GRM2 | |
| SCHEMBL436978 | 0.86 | AHR (0.40) | HSD11B1NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL434298 | 0.86 | PDE3B (0.35) | NISCHPDE3BPDE3AMAPK14ALDH1A1 | |
| SCHEMBL27688265 | 0.86 | NISCH (0.38) | NISCHPDE3BPDE3AHSD11B1GRM2 | |
| SCHEMBL436101 | 0.85 | IDO1 (0.38) | PDE3BPDE3AGRM2ALDH1A1KDM4E | |
| SCHEMBL27688477 | 0.84 | HSD11B1 (0.41) | NISCHPDE3BPDE3AHSD11B1GRM2 | |
| SCHEMBL17514846 | 0.80 | HSD11B1 (0.43) | NISCHHSD11B1GRM2HTR1AHTR7 | |
| SCHEMBL2050215 | 0.79 | PTPN1 (0.35) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL2886283 | 0.78 | — | — | |
| SCHEMBL433088 | 0.78 | KMO (0.36) | HSD11B1GRM2 |
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 |