Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29240602 | 0.86 | MAOB (0.37) | CYP3A4THRBALDH1A1MAOAMAOB | |
| SCHEMBL14637590 | 0.82 | ALDH1A1 (0.39) | CYP3A4THRBALDH1A1MAOAMAOB | |
| SCHEMBL29240599 | 0.81 | MAOA (0.39) | ALDH1A1MAOAMAOBPDE4APDE4B | |
| SCHEMBL29240604 | 0.77 | CYP3A4 (0.51) | CYP3A4THRBALDH1A1HTR2ASLC6A4 | |
| SCHEMBL9835321 | 0.77 | PDE4A (0.38) | ALDH1A1MAOAMAOBPDE4APDE4B | |
| SCHEMBL29880446 | 0.77 | PDE4A (0.38) | ALDH1A1MAOAMAOBPDE4APDE4B | |
| SCHEMBL21632243 | 0.76 | CYP3A4 (0.39) | CYP3A4THRBALDH1A1HTR2ASLC6A4 | |
| SCHEMBL29240596 | 0.75 | USP2 (0.47) | CYP3A4THRBALDH1A1LMNA | |
| SCHEMBL28037605 | 0.75 | CYP3A4 (0.39) | CYP3A4THRBALDH1A1HTR2ASLC6A4 | |
| SCHEMBL21632262 | 0.75 | CYP3A4 (0.38) | CYP3A4THRBALDH1A1HTR2ASLC6A4 |
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-2018060088-A1 | 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-04-05 | — | — | WO | disclosed |