Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzothiophene SCHEMBL28882160 | 0.82 | CYP2A6 (0.47) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL30395947 | 0.82 | CYP2A6 (0.47) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL28030266 | 0.82 | CYP2A6 (0.47) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL28112179 | 0.82 | CYP2A6 (0.47) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL29383883 | 0.81 | — | — | |
| Benzothiophene SCHEMBL28399890 | 0.81 | CA12 (0.42) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL7023 | 0.81 | — | — | |
| Benzothiophene SCHEMBL29415494 | 0.81 | — | — | |
| Benzothiophene SCHEMBL28545602 | 0.81 | CA12 (0.42) | CYP2A6CA12CA9CTNNB1WNT3A | |
| Benzothiophene SCHEMBL253491 | 0.81 | CA12 (0.42) | CYP2A6CA12CA9CTNNB1WNT3A |
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-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106146487-A | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its production and use | 北京大学 | 2016-11-23 | — | — | CN | disclosed |