Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL5350084 | 0.90 | MAOB (0.40) | MAOBTRPA1ALDH1A1TSHRCCR5 | |
| SCHEMBL9147038 | 0.85 | TRPA1 (0.40) | HSD11B1MAOBTRPA1ALDH1A1TSHR | |
| SCHEMBL9148468 | 0.83 | HSD11B1 (0.40) | HSD11B1MAOBTRPA1ALDH1A1TSHR | |
| SCHEMBL15822934 | 0.83 | FFAR1 (0.44) | MAOBTRPA1ALDH1A1TSHR | |
| Formic Acid Methyl Ester SCHEMBL27487647 | 0.82 | MAOB (0.35) | MAOBTRPA1ALDH1A1TSHRCCR5 | |
| SCHEMBL17135362 | 0.81 | TSHR (0.39) | MAOBTRPA1ALDH1A1TSHRCCR5 | |
| Ethoxycarbonyl Group SCHEMBL27506197 | 0.79 | KMT2A (0.36) | MAOBTRPA1ALDH1A1TSHRCCR5 | |
| SCHEMBL9144305 | 0.77 | L3MBTL1 (0.40) | TRPA1ALDH1A1CCR5 | |
| SCHEMBL31440790 | 0.76 | HTR6 (0.42) | ALDH1A1TSHR | |
| SCHEMBL1785146 | 0.75 | MAOB (0.42) | HSD11B1MAOBALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-104710372-B | Metconazole and preparation method thereof | 上海交通大学 | 2017-12-15 | — | — | CN | claimed |