Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28116738 | 1.00 | CYP1A2 (0.50) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| Ammonia Solution, Strong SCHEMBL3052719 | 1.00 | CYP1A2 (0.50) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| Ammonia Solution, Strong SCHEMBL354204 | 1.00 | CYP1A2 (0.50) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| Ammonia Solution, Strong SCHEMBL353931 | 1.00 | — | — | |
| SCHEMBL25446788 | 0.97 | CYP1A2 (0.52) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| SCHEMBL18078965 | 0.97 | CYP1A2 (0.52) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| Ammonia Solution, Strong SCHEMBL354727 | 0.97 | — | — | |
| SCHEMBL4576671 | 0.97 | CYP1A2 (0.52) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| Cyclohexane SCHEMBL8731700 | 0.97 | CYP1A2 (0.52) | CYP1A2SHBGCHRM5ADRA2CCHRM2 | |
| SCHEMBL1437788 | 0.97 | CYP1A2 (0.52) | CYP1A2SHBGCHRM5ADRA2CCHRM2 |
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-105568292-A | Alkyl pyridinium quaternary ammonium salt corrosion inhibitor used for inhibiting carbon dioxide corrosion and preparation method thereof | NANJING HUAZHOU NEW MAT CO LTD | 2016-05-11 | — | — | CN | disclosed |