Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29956984 | 0.98 | KCNJ1 (0.34) | KCNJ1ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL15332698 | 0.81 | HRH1 (0.33) | KCNJ1ALDH1A1L3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL29956780 | 0.79 | HRH4 (0.32) | — | |
| SCHEMBL29951446 | 0.75 | HSD17B10 (0.33) | KCNJ1ALDH1A1L3MBTL1KDM4ECYP2A6 | |
| SCHEMBL13447382 | 0.75 | ALDH1A1 (0.35) | KCNJ1ALDH1A1L3MBTL1KDM4ECYP2A6 | |
| SCHEMBL29952918 | 0.75 | ALDH1A1 (0.37) | KCNJ1ALDH1A1L3MBTL1KDM4ECYP2A6 | |
| SCHEMBL1134013 | 0.75 | ALDH1A1 (0.37) | KCNJ1ALDH1A1L3MBTL1KDM4ECYP2A6 | |
| SCHEMBL5901003 | 0.75 | ALDH1A1 (0.32) | KCNJ1ALDH1A1L3MBTL1KDM4ECYP2A6 | |
| SCHEMBL528074 | 0.74 | — | — | |
| SCHEMBL15331879 | 0.73 | HTT (0.42) | ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |