Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 5/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21089 | 0.84 | MIF (0.44) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL27570115 | 0.83 | MIF (0.42) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL22471901 | 0.82 | MIF (0.43) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| Water SCHEMBL29040332 | 0.82 | MIF (0.43) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| Water SCHEMBL14972874 | 0.82 | MIF (0.43) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL18567327 | 0.81 | MIF (0.42) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL14328197 | 0.79 | MIF (0.35) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL5029 | 0.78 | MIF (0.63) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| SCHEMBL31094964 | 0.78 | MIF (0.40) | MIFTRPA1CYP3A4TSHRALDH1A1 | |
| Cyclohexane SCHEMBL28302863 | 0.78 | MIF (0.40) | MIFTRPA1CYP3A4TSHRALDH1A1 |
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-112500421-A | Preparation method and application of benzopyran urea compound for sterilization and disinfection | 河南科技大学第一附属医院 | 2021-03-16 | — | — | CN | disclosed |