Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1484446 | 1.00 | CYP2A6 (0.38) | CYP2A6ALDH1A1XDHERN1TTR | |
| SCHEMBL2161087 | 0.84 | VCAM1 (0.38) | TTRALBVCAM1PTGS1PTGS2 | |
| SCHEMBL29951645 | 0.84 | VCAM1 (0.38) | TTRALBVCAM1PTGS1PTGS2 | |
| SCHEMBL16952154 | 0.79 | TTR (0.39) | CYP2A6ALDH1A1XDHTTRALB | |
| SCHEMBL12798260 | 0.79 | TP53 (0.42) | CYP2A6ALDH1A1XDHTTRALB | |
| SCHEMBL501406 | 0.77 | ALDH1A1 (0.52) | CYP2A6ALDH1A1XDHTTRALB | |
| SCHEMBL280640 | 0.77 | CYP2A6 (0.52) | CYP2A6ALDH1A1ERN1 | |
| SCHEMBL1004620 | 0.77 | ALDH1A1 (0.52) | CYP2A6ALDH1A1XDHTTRALB | |
| SCHEMBL3129625 | 0.77 | CYP2A6 (0.52) | CYP2A6ALDH1A1ERN1PTGS2 | |
| SCHEMBL23544801 | 0.76 | ALDH1A1 (0.35) | CYP2A6ALDH1A1XDHTTRALB |
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 |