Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 10/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 5/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Ethyl Isothiocyanate SCHEMBL287524 | 0.90 | — | — | |
| Ethyl Isothiocyanate SCHEMBL11120171 | 0.87 | — | — | |
| Ethyl Isothiocyanate SCHEMBL27916476 | 0.87 | — | — | |
| Biphenyl SCHEMBL17835321 | 0.85 | MIF (0.50) | MIFTRPA1CYP3A4ALDH1A1HPGD | |
| Toluene SCHEMBL29140425 | 0.83 | MIF (0.48) | MIFTRPA1CYP3A4ALDH1A1HPGD | |
| Ethyl Isothiocyanate SCHEMBL1811949 | 0.82 | — | — | |
| Chlorobenzene SCHEMBL28864453 | 0.82 | MIF (0.47) | MIFTRPA1CYP3A4ALDH1A1HPGD | |
| Ethyl Isothiocyanate SCHEMBL25213788 | 0.81 | — | — | |
| Ethyl Isothiocyanate SCHEMBL28386540 | 0.81 | — | — | |
| Ethyl Isothiocyanate SCHEMBL8698367 | 0.81 | — | — |
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-107412076-A | A kind of antiperspirant and its application | 广州聚注通用技术研究院有限公司 | 2017-12-01 | — | — | CN | disclosed |