Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 12/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 10/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL826276 | 0.86 | CHRM3 (0.49) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL4890803 | 0.86 | KCNN4 (0.40) | GAARAB9ACHRM3CHRM2CHRM1 | |
| SCHEMBL28905886 | 0.85 | CHRM3 (0.54) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL25908773 | 0.78 | CHRM3 (0.42) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL25907838 | 0.75 | CHRM3 (0.42) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| Maleic Anhydride SCHEMBL27938981 | 0.75 | CHRM3 (0.44) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL25907218 | 0.75 | CHRM3 (0.42) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL3527905 | 0.75 | CHRM3 (0.61) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL11468485 | 0.74 | RAB9A (0.41) | POLBGAASMN1; SMN2RAB9ACHRM3 | |
| SCHEMBL29280614 | 0.74 | L3MBTL1 (0.41) | POLBGAASMN1; SMN2RAB9ACHRM3 |
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-118330072-A | Method for detecting content of related substances in 2, 2-dithiophene methyl glycolate by using high performance liquid chromatography | 南京联智医药科技有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-114057684-B | Synthesis method of tiotropium bromide intermediate methyl bis (2-dithienyl) glycolate | 鲁南制药集团股份有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-114057683-A | Preparation method of tiotropium bromide intermediate | 鲁南制药集团股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-114057684-A | Synthesis method of tiotropium bromide intermediate methyl di (2-dithienyl) glycolate | 鲁南制药集团股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| WO-2019129801-A1 | PROCESS FOR THE PURIFICATION OF METHYL-2,2-DITHIENYLGLYCOLATE | LINNEA S.A. (CH) | 2019-07-04 | — | — | WO | disclosed |