Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | PLAU | P00749 | 2/20 | 0.50 |
| ▸ | F12 | P00748 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30100779 | 0.94 | PLAU (0.56) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL248635 | 0.94 | PLAU (0.56) | CYP2A6PLAUF12NCF1NOS3 | |
| Ammonia Solution, Strong SCHEMBL28213835 | 0.91 | PLAU (0.54) | CYP2A6PLAUF12NCF1NOS3 | |
| Iodide SCHEMBL26934065 | 0.91 | PLAU (0.54) | CYP2A6PLAUF12NCF1NOS3 | |
| Bicarbonate SCHEMBL28387859 | 0.82 | PLAU (0.46) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL28216191 | 0.81 | PLAU (0.44) | CYP2A6PLAUF12NCF1NOS3 | |
| Isobutane SCHEMBL28383369 | 0.81 | RAB9A (0.47) | CYP2A6PLAUF12NCF1NOS3 | |
| Tetrahydrofuran SCHEMBL28212806 | 0.80 | PLAU (0.43) | CYP2A6PLAUF12NCF1NOS3 | |
| Bicarbonate SCHEMBL29239049 | 0.79 | CYP2A6 (0.43) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL21767613 | 0.78 | CYP3A4 (0.61) | CYP2A6PLAUF12NCF1NOS3 |
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-1099557-A | Diaryl (pyridinio and isoquinolinio) boron fungicidal agents | AMERICAN CYANAMID CO (US) | 1995-03-08 | — | — | CN | disclosed |