Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 6/20 | 0.55 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TNKS | O95271 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19929823 | 0.90 | ADORA3 (0.54) | ADORA3MAOBKCNA5KCNH2TP53 | |
| SCHEMBL28654878 | 0.89 | CA12 (0.49) | ADORA3CA12CA1CA2CA3 | |
| SCHEMBL28660360 | 0.86 | TNKS (0.54) | ADORA3CA12CA1CA2CA3 | |
| SCHEMBL28663810 | 0.86 | ALDH1A1 (0.64) | TP53CYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL28929133 | 0.85 | MAOB (0.48) | ADORA3MAOBTNKSALDH1A1MAPT | |
| SCHEMBL28655613 | 0.85 | MAOB (0.50) | MAOBMEN1KMT2ATNKSTNKS2 | |
| SCHEMBL28655615 | 0.83 | DHODH (0.53) | MAOBMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28677812 | 0.83 | CA12 (0.42) | ADORA3CA12CA1CA2CA3 | |
| SCHEMBL19934926 | 0.80 | MAOB (0.56) | MAOBKCNA5KCNH2TP53CYP3A4 | |
| SCHEMBL28660357 | 0.79 | EIF4A1 (0.52) | — |
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-113754619-B | Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium | 广州大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-113754619-A | Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium | 广州大学 | 2021-12-07 | — | — | CN | disclosed |