Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL27554242 | 0.85 | TP53 (0.55) | TP53TSHRALDH1A1CALM1IDO1 | |
| (Chloromethyl)Benzene SCHEMBL27439570 | 0.84 | IDO1 (0.50) | TP53TSHRTTRIDO1CYP2D6 | |
| (Chloromethyl)Benzene SCHEMBL27327539 | 0.82 | TP53 (0.46) | TP53TSHRALDH1A1TTRCALM1 | |
| (Chloromethyl)Benzene SCHEMBL4637240 | 0.82 | TP53 (0.50) | TP53TSHRALDH1A1CALM1IDO1 | |
| (Chloromethyl)Benzene SCHEMBL6422666 | 0.82 | CALM1 (0.53) | TP53TSHRALDH1A1SMN1; SMN2CALM1 | |
| SCHEMBL21317609 | 0.82 | CALM1 (0.53) | TP53TSHRALDH1A1SMN1; SMN2CALM1 | |
| (Chloromethyl)Benzene SCHEMBL7413 | 0.82 | — | — | |
| (Chloromethyl)Benzene SCHEMBL1331085 | 0.82 | — | — | |
| (Chloromethyl)Benzene SCHEMBL29919724 | 0.82 | — | — | |
| (Chloromethyl)Benzene SCHEMBL1616642 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098792-A | A kind of tetrachloro-ethylene pays the production method that discarded object produces phenyl-hexafluoride | 衢州乾达科技有限公司 | 2017-08-29 | — | — | CN | claimed |
| CN-107098792-A | A kind of tetrachloro-ethylene pays the production method that discarded object produces phenyl-hexafluoride | 衢州乾达科技有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-103805208-A | Dicyclohexyl ethylene group substituted diphenylacetylene liquid crystal compound and preparation method thereof | UNIV SHAANXI NORMAL | 2014-05-21 | — | — | CN | disclosed |
| CN-103073578-A | Dibenzyl phosphinic acid synthetic method | UNIV TSINGHUA | 2013-05-01 | — | — | CN | disclosed |
| US-4545934-A | ALKYLATION OF THE ESTER AND AMIDE DERIVATIVES | LONZA LTD. (CH) | 1985-10-08 | — | — | US | disclosed |