Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.44 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.44 |
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | MUS81 | Q96NY9 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL630082 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| SCHEMBL11307765 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| Water SCHEMBL6853412 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| SCHEMBL11669424 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| SCHEMBL11304624 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| SCHEMBL11881041 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| Formaldehyde SCHEMBL29206529 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| Perchlorobenzene SCHEMBL26562 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| Perchlorobenzene SCHEMBL1330781 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRUCHL1UCHL3ECE1 | |
| Perchlorobenzene SCHEMBL8872243 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRUCHL1UCHL3ECE1 |
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-114002349-A | Gas chromatography-mass spectrometry detection method for hexachlorobenzene and decachlorobiphenyl in chlorothalonil | 江苏新河农用化工有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-114002349-A | Gas chromatography-mass spectrometry detection method for hexachlorobenzene and decachlorobiphenyl in chlorothalonil | 江苏新河农用化工有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-114002349-A | Gas chromatography-mass spectrometry detection method for hexachlorobenzene and decachlorobiphenyl in chlorothalonil | 江苏新河农用化工有限公司 | 2022-02-01 | — | — | CN | disclosed |