Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL27584681 | 0.84 | ALDH1A1 (0.48) | CES2CES1NFE2L2PARP1ACHE | |
| Formic Acid SCHEMBL27889649 | 0.84 | ACHE (0.74) | CES2CES1NFE2L2PARP1ACHE | |
| SCHEMBL27346065 | 0.83 | NFE2L2 (0.50) | CES2CES1NFE2L2PARP1ACHE | |
| Fluorobenzene SCHEMBL28135406 | 0.83 | NFE2L2 (0.44) | CES2CES1NFE2L2PARP1MAPK1 | |
| Acetaldehyde SCHEMBL27733913 | 0.83 | ACHE (0.52) | CES2CES1NFE2L2PARP1ACHE | |
| Formamide SCHEMBL28259731 | 0.83 | NFE2L2 (0.50) | CES2CES1NFE2L2PARP1ACHE | |
| Formic Acid SCHEMBL27639050 | 0.82 | CES2 (0.50) | CES2CES1PTGS1PTGS2 | |
| SCHEMBL13329 | 0.82 | — | — | |
| Fluorobenzene SCHEMBL25292684 | 0.80 | NFE2L2 (0.46) | CES2CES1NFE2L2MAPK1NPC1 | |
| Methyl Alcohol SCHEMBL27948423 | 0.79 | ACHE (0.60) | CES2CES1NFE2L2PARP1ACHE |
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-109438214-A | The preparation method of the bromo- 2,4 difluorobenzene formic acid of high-purity 5- | 大连奇凯医药科技有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-108623447-A | A kind of synthetic method of medicine intermediate 2,4 difluorobenzene formic acid | 成都中恒华铁科技有限公司 | 2018-10-09 | — | — | CN | disclosed |
| CN-103881108-B | Tree form modification genophore that fluorine-containing aromatic cycle compound is modified and its preparation method and application | 华东师范大学 | 2017-01-04 | — | — | CN | disclosed |