Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexachloroethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| Carbon Tetrachloride SCHEMBL28910750 | 0.84 | — | — | |
| Bicarbonate SCHEMBL3571543 | 0.80 | — | — | |
| Bicarbonate SCHEMBL29243300 | 0.78 | CA1 (0.62) | TSHRALDH1A1TP53CA1CA2 | |
| Bicarbonate SCHEMBL1796639 | 0.78 | — | — | |
| Bicarbonate SCHEMBL30600822 | 0.78 | — | — | |
| Bicarbonate SCHEMBL19747187 | 0.78 | CA1 (0.62) | TSHRALDH1A1TP53CA1CA2 | |
| Bicarbonate SCHEMBL551758 | 0.78 | — | — | |
| Bicarbonate SCHEMBL29569190 | 0.78 | — | — | |
| Bicarbonate SCHEMBL551756 | 0.78 | CA1 (0.83) | TSHRALDH1A1TP53CA1CA2 | |
| Carbon Tetrachloride SCHEMBL9436757 | 0.76 | TSHR (0.50) | TSHRALDH1A1TP53CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040249098-A1 | (Meth)acrylic and (meth)acrylamide monomers comprising cyclic acetal/thioacetal groups, polymerizable compositions, and polymers obtained | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2004-12-09 | — | — | US | disclosed |