Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27931104 | 0.92 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3258673 | 0.89 | GABRA1 (0.48) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL169506 | 0.89 | GABRA1 (0.48) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL150658 | 0.87 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL7055042 | 0.87 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| Formamide SCHEMBL27885905 | 0.84 | GABRA1 (0.40) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9488152 | 0.83 | SHBG (0.44) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| Aniline SCHEMBL6017812 | 0.81 | TSHR (0.41) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| Diethylamine SCHEMBL6284503 | 0.80 | CYP1A2 (0.40) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3642069 | 0.80 | GABRA1 (0.42) | GABRA1GABRB2CYP3A4CYP1A2CYP2D6 |
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-109232330-B | Method for synthesizing benzene sulfonamide compound from benzene sulfonyl chloride compound and triethylamine through metal-free catalysis | 中国人民解放军国防科技大学 | 2021-03-26 | — | — | CN | disclosed |