Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| 1,2-Dichloroethane SCHEMBL36872 | 1.00 | — | — | |
| 1,2-Dichloroethane SCHEMBL19614540 | 0.88 | ALDH1A1 (0.46) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| 1,2-Dichloroethane SCHEMBL19614542 | 0.84 | ALDH1A1 (0.43) | TSHRALDH1A1MEN1KMT2A | |
| Methylene Chloride SCHEMBL700799 | 0.84 | — | — | |
| Methylene Chloride SCHEMBL7463180 | 0.84 | ALDH1A1 (0.67) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| 1,2-Dichloroethane SCHEMBL8201807 | 0.82 | — | — | |
| Hexane SCHEMBL28835345 | 0.82 | TSHR (0.56) | TSHRALDH1A1TDP1 | |
| Ethyl Chloride SCHEMBL11811185 | 0.80 | — | — | |
| 1,2-Dichloroethane SCHEMBL5313391 | 0.79 | ALDH1A1 (0.38) | TSHRALDH1A1 | |
| Chloroform SCHEMBL1194194 | 0.78 | — | — |
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-110128295-A | A kind of production technology based on micro- reaction synthesis chloro- 5- nitrobenzonitrile of 2- | 浙江长华科技股份有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-110041228-A | A kind of o-chloro benzonitrile nitration processes | 浙江长华科技股份有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-109503630-A | A kind of preparation method of Desacetylcefotaxime | 河北合佳医药科技集团股份有限公司 | 2019-03-22 | — | — | CN | disclosed |