Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 15/20 | 0.74 |
| ▸ | NOS3 | P29474 | 13/20 | 0.74 |
| ▸ | NOS1 | P29475 | 13/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28918863 | 0.99 | NOS2 (0.73) | NOS2NOS3NOS1ABCB11ADORA3 | |
| SCHEMBL28918890 | 0.83 | NOS2 (0.56) | NOS2NOS3NOS1ABCB11ADORA3 | |
| SCHEMBL28918894 | 0.83 | NOS2 (0.77) | NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL28918865 | 0.82 | NOS2 (0.55) | NOS2NOS3NOS1LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL28918861 | 0.82 | NOS2 (0.76) | NOS2NOS3NOS1 | |
| SCHEMBL15302870 | 0.81 | CYP2D6 (0.68) | NOS2NOS3NOS1ABCB11ADORA3 | |
| SCHEMBL30080355 | 0.81 | NOS2 (0.53) | NOS2NOS3NOS1SLC6A2SLC6A4 | |
| SCHEMBL11647085 | 0.81 | CYP2D6 (0.59) | NOS2NOS3NOS1ABCB11ADORA3 | |
| Hydrochloric Acid SCHEMBL28000604 | 0.80 | LMNA (0.68) | NOS2NOS3NOS1ABCB11ADORA3 | |
| SCHEMBL15078790 | 0.74 | NOS2 (0.49) | NOS2NOS3NOS1ABCB11ADORA3 |
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-115518058-A | Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method | 河北医科大学 | 2022-12-27 | — | — | CN | disclosed |