Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 8/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5926988 | 0.93 | SLC18A3 (0.55) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| SCHEMBL4362865 | 0.90 | SLC18A3 (0.56) | SLC18A3SIGMAR1CYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL2050 | 0.90 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6CYP1A2 | |
| Hydrogen Peroxide SCHEMBL2352938 | 0.87 | SLC18A3 (0.58) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Bicarbonate SCHEMBL11121465 | 0.86 | AKR1C3 (0.53) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL11586135 | 0.85 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL42934 | 0.85 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL9997756 | 0.85 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL2352896 | 0.85 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL5901852 | 0.85 | SLC18A3 (0.61) | SLC18A3SIGMAR1TRPA1CYP2D6SMN1; SMN2 |
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-2005019229-A1 | PROCESS FOR PURIFICATION OF BORONIC ACID AND ITS DERIVATIVES | BIOCON LIMITED (IN) | 2005-03-03 | — | — | WO | disclosed |