Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | PPOX | P50336 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL17514891 | 0.89 | KMO (0.35) | S100A4KMOGRM2EGLN2HSD11B1 | |
| SCHEMBL30598347 | 0.81 | S100A4 (0.46) | S100A4KMOGRM2EGLN2PPOX | |
| SCHEMBL23638850 | 0.81 | S100A4 (0.46) | S100A4KMOGRM2EGLN2PPOX | |
| SCHEMBL1274816 | 0.80 | AHR (0.50) | S100A4PPOXAHRHSD11B1 | |
| SCHEMBL434747 | 0.78 | GRM2 (0.38) | S100A4KMOGRM2EGLN2HSD11B1 | |
| SCHEMBL3410408 | 0.78 | TP53 (0.42) | S100A4PPOXAHR | |
| SCHEMBL17514979 | 0.76 | NISCH (0.39) | GRM2AHRHSD11B1CLK1 | |
| SCHEMBL17515034 | 0.76 | KMO (0.36) | S100A4KMOGRM2EGLN2HSD11B1 | |
| SCHEMBL17514893 | 0.76 | KMO (0.36) | S100A4KMOGRM2EGLN2HSD11B1 | |
| SCHEMBL17514905 | 0.74 | KMO (0.35) | S100A4KMOGRM2EGLN2AHR |
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 |