Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL17838078 | 0.98 | TDP1 (0.53) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL30083984 | 0.98 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL25106 | 0.98 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL249218 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| Potassium SCHEMBL1617563 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL1617561 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| Water SCHEMBL11405805 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL249217 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL8650259 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 | |
| SCHEMBL11817244 | 0.96 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9TDP1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960473-A | Method for preparing metal phthalocyanine pigment by solvent method | 江苏丽王科技股份有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-110072843-A | Benzene carbon amidine and its purposes as fungicide | 拜耳作物科学股份公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-109477025-A | Lubricating oil composition and method for producing same | 出光兴产株式会社 | 2019-03-15 | — | — | CN | disclosed |