Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 1/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | G6PD | P11413 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28936744 | 0.90 | DNMT1 (0.63) | DNMT1GAACA2CA12CA1 | |
| SCHEMBL3917191 | 0.90 | DNMT1 (1.00) | DNMT1ALDH1A1G6PDGAAKMT2A | |
| SCHEMBL10330810 | 0.81 | DNMT1 (0.81) | DNMT1ALDH1A1G6PDGAAKMT2A | |
| SCHEMBL10330809 | 0.81 | DNMT1 (0.81) | DNMT1ALDH1A1G6PDGAAKMT2A | |
| SCHEMBL11290137 | 0.81 | DNMT1 (0.81) | DNMT1ALDH1A1G6PDGAAKMT2A | |
| SCHEMBL7115923 | 0.77 | DNMT1 (0.73) | DNMT1ALDH1A1GAAKMT2ABCHE | |
| SCHEMBL7781140 | 0.76 | CYP2C9 (0.59) | DNMT1ALDH1A1GAAKMT2AEGFR | |
| SCHEMBL4616138 | 0.76 | GAA (0.76) | ALDH1A1GAAKMT2AEGFRERBB2 | |
| SCHEMBL13241418 | 0.76 | ALDH1A1 (0.62) | ALDH1A1GAAKMT2AEGFRERBB2 | |
| SCHEMBL7781144 | 0.75 | ALDH1A1 (0.54) | DNMT1ALDH1A1G6PDGAAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108191729-B | A kind of synthetic method of thiosulfonic acid esters compound | 广东工业大学 | 2019-11-08 | — | — | CN | disclosed |
| CN-108191729-A | A kind of synthetic method of thiosulfonic acid esters compound | 广东工业大学 | 2018-06-22 | — | — | CN | disclosed |