Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | GAK | O14976 | 2/20 | 0.31 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.31 |
| ▸ | STK16 | O75716 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.31 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL30610404 | 0.77 | NQO2 (0.39) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL31651947 | 0.75 | MAOA (0.40) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL31284870 | 0.75 | GAK (0.38) | MAOAGAKEPHB6RIPK2STK16 | |
| SCHEMBL4321857 | 0.75 | MAOA (0.40) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL15467888 | 0.73 | MAOA (0.35) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL12502315 | 0.73 | ALDH1A1 (0.37) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL12302294 | 0.73 | KDM4E (0.39) | MAOA | |
| SCHEMBL31444061 | 0.73 | KDM4E (0.39) | MAOA | |
| Methylamine SCHEMBL26629007 | 0.72 | MAOA (0.38) | MAOACCR1CCR5CCR8GAK | |
| SCHEMBL4047823 | 0.71 | NQO2 (0.42) | — |
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-1997019923-A1 | CYCLOALKYLMETHYL- AND CYCLOALKYLIDENEMETHYL PYRIDINES, PROCESSES FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |