Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKAR | P32238 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL23400074 | 0.87 | CACNA1H (0.47) | ALDH1A1CACNA1GCACNA1HKCNH2TLR7 | |
| SCHEMBL23398871 | 0.85 | CA1 (0.41) | ALDH1A1CA1CA2MEN1NPC1 | |
| SCHEMBL23403350 | 0.85 | ALDH1A1 (0.44) | CCKARALDH1A1L3MBTL1NPC1TP53 | |
| SCHEMBL23399441 | 0.82 | KDM5A (0.41) | ALDH1A1CA1CA2PTGS2CA9 | |
| SCHEMBL23398638 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CA1CA2PTGS2CA9 | |
| SCHEMBL23400782 | 0.79 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPTKMT2ATLR7 | |
| SCHEMBL23401415 | 0.77 | CNR1 (0.49) | ALDH1A1CA1CA2PTGS2CA9 | |
| SCHEMBL23399290 | 0.77 | KCNJ6 (0.50) | ALDH1A1PTGS2POLBTDP1L3MBTL1 | |
| SCHEMBL23401563 | 0.75 | CACNA1G (0.40) | ALDH1A1CACNA1GCACNA1HKCNH2MEN1 | |
| SCHEMBL11441588 | 0.74 | CYP1A2 (0.47) | ALDH1A1POLBMEN1NPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |