Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17515015 | 0.90 | MAOB (0.34) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514508 | 0.87 | MAOB (0.35) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514545 | 0.85 | HSD11B1 (0.36) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514718 | 0.85 | MAOB (0.34) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514623 | 0.84 | MAOB (0.35) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514811 | 0.82 | MAOB (0.34) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514816 | 0.82 | CYP1A1 (0.35) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514986 | 0.80 | GSTP1 (0.39) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17515002 | 0.79 | MAOB (0.36) | MAOBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17514944 | 0.79 | MAOB (0.35) | MAOBCYP1A1CYP1A2CYP1B1 |
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 |