Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | GRM5 | P41594 | 14/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28357654 | 0.87 | CA12 (0.52) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL28513833 | 0.80 | CYP1A2 (0.38) | CA12CA2CA9GRM5 | |
| SCHEMBL28509992 | 0.79 | GRM5 (0.49) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL31286312 | 0.79 | CA12 (0.62) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL9302636 | 0.79 | CA12 (0.62) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL28516005 | 0.77 | CA12 (0.56) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL717450 | 0.77 | CA12 (0.59) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL28481617 | 0.73 | CA12 (0.52) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL28788080 | 0.72 | CA12 (0.55) | CA12CA2CA9GRM5CA1 | |
| SCHEMBL9304700 | 0.71 | CA12 (0.62) | CA12CA2CA9GRM5CA1 |
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-110656346-B | Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device | 南京工业大学 | 2021-02-02 | — | — | CN | claimed |