Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL9967775 | 0.78 | CHAT (0.50) | CHATNOS3NOS1NOS2PYGL | |
| SCHEMBL13597784 | 0.77 | TRPA1 (0.41) | CHAT | |
| SCHEMBL9967783 | 0.73 | APP (0.35) | CHAT | |
| SCHEMBL3657410 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL15617288 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL19832828 | 0.68 | PNMT (0.30) | — | |
| SCHEMBL9967711 | 0.68 | AHR (0.48) | — | |
| SCHEMBL14465008 | 0.68 | AHR (0.48) | — | |
| SCHEMBL10131184 | 0.68 | AHR (0.48) | — | |
| SCHEMBL19832546 | 0.67 | NOS3 (0.39) | CHATNOS3NOS1NOS2PYGL |
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 |
|---|---|---|---|---|---|---|---|
| US-9006265-B2 | Substituted fused pyrimidinones and dihydropyrimidinones | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-14 | — | — | US | disclosed |