Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.95 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.95 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL39591 | 0.98 | TSHR (1.00) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| SCHEMBL29410732 | 0.98 | TSHR (1.00) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Hydrochloric Acid SCHEMBL4372377 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Hydrochloric Acid SCHEMBL30953679 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Water SCHEMBL27580150 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Hydrochloric Acid SCHEMBL2790297 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Water SCHEMBL27781603 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Water SCHEMBL7109306 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Iodide SCHEMBL31305312 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 | |
| Fluoride SCHEMBL10897661 | 0.95 | TSHR (0.95) | TSHRMAPK1PTGS1CYP3A4CASP1 |
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-106478464-A | A kind of preparation method of 2 fluorine, 6 trifluoromethyl benzene sulfonyl chloride | 黄河三角洲京博化工研究院有限公司 | 2017-03-08 | — | — | CN | disclosed |