Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2544530 | 0.98 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29589374 | 0.98 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17239676 | 0.90 | CA1 (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20591129 | 0.89 | CA1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20591130 | 0.87 | CA1 (0.40) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29903925 | 0.83 | CA1 (0.35) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17749174 | 0.83 | CA1 (0.35) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1672627 | 0.82 | APP (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29670082 | 0.82 | SMN1; SMN2 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2547660 | 0.80 | CA1 (0.44) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022114117-A1 | PALLADIUM COMPLEX, COUPLING REACTION CATAYLST, AND METHOD FOR PRODUCING AROMATIC COMPOUND | エヌ・イーケムキャット株式会社 | 2022-06-02 | — | — | WO | disclosed |