Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.72 |
| ▸ | HPGD | P15428 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28342234 | 1.00 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL27797563 | 0.98 | TSHR (0.75) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Acrylonitrile SCHEMBL7618129 | 0.93 | TSHR (0.68) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Acrylonitrile SCHEMBL9872501 | 0.93 | TSHR (0.68) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Acrylonitrile SCHEMBL10712078 | 0.93 | TSHR (0.68) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Water SCHEMBL27806311 | 0.93 | TSHR (0.78) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL27608864 | 0.93 | TSHR (0.85) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL9442075 | 0.93 | TSHR (0.84) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL7730973 | 0.93 | TSHR (0.84) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL14574685 | 0.93 | TSHR (0.84) | TSHRHPGDALDH1A1CYP3A4HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061465-A | Compositions for application to the skin for reducing adhesion of pollution particles on skin and methods of preparing same | 道康宁公司 | 2016-10-26 | — | — | CN | disclosed |