Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23171392 | 0.86 | HCAR3 (0.58) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL19330155 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL30369918 | 0.83 | ALDH1A1 (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL30592797 | 0.82 | KCNH2 (0.51) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL934755 | 0.82 | KCNH2 (0.51) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL24605670 | 0.81 | POLB (0.47) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL18693771 | 0.78 | DGAT1 (0.43) | ALDH1A1HCAR3KDM4ELMNAMAPT | |
| SCHEMBL20797725 | 0.77 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL20797769 | 0.77 | ALDH3A1 (0.50) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL20797695 | 0.76 | HCAR3 (0.57) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 |
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 |