Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MGLL | Q99685 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565168 | 0.83 | TSHR (0.52) | TSHRALDH1A1MGLLKDM4ECNR2 | |
| SCHEMBL11749452 | 0.75 | TSHR (0.44) | TSHRALDH1A1MGLLKDM4ECNR2 | |
| SCHEMBL333424 | 0.72 | ALDH1A1 (0.52) | TSHRALDH1A1MGLLLMNAAOC3 | |
| SCHEMBL19173952 | 0.71 | TSHR (0.54) | TSHRALDH1A1MGLLKDM4ECNR2 | |
| SCHEMBL81248 | 0.70 | HRH3 (0.65) | TSHRALDH1A1KDM4ECNR2LMNA | |
| SCHEMBL11214749 | 0.70 | TSHR (0.58) | TSHRALDH1A1MGLLKDM4ECNR2 | |
| SCHEMBL375111 | 0.70 | KDM4E (0.68) | TSHRALDH1A1KDM4ECNR2LMNA | |
| SCHEMBL5271843 | 0.70 | TSHR (0.56) | TSHRALDH1A1MGLLKDM4ECNR2 | |
| SCHEMBL21034486 | 0.69 | TSHR (0.45) | TSHRALDH1A1MGLLKDM4EAOC3 | |
| Iodide SCHEMBL21693881 | 0.69 | HRH3 (0.62) | TSHRALDH1A1KDM4ECNR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019101132-A1 | FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2019-05-31 | — | — | WO | disclosed |