Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.61 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | P4HB | P07237 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 3/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2041048 | 0.84 | GSK3B (0.61) | GSK3BGRM5CLK1DYRK1ADYRK1B | |
| SCHEMBL171168 | 0.84 | GSK3B (0.61) | GSK3BGRM5CLK1DYRK1ADYRK1B | |
| Hydrochloric Acid SCHEMBL4380330 | 0.82 | GSK3B (0.59) | GSK3BGRM5MAPTVNN1 | |
| SCHEMBL60691 | 0.82 | GSK3B (0.62) | GSK3BGRM5XDHSLC22A12 | |
| SCHEMBL29441888 | 0.82 | GSK3B (0.62) | GSK3BGRM5XDHSLC22A12 | |
| SCHEMBL2164429 | 0.82 | GSK3B (0.62) | GSK3BGRM5CLK1DYRK1ADYRK1B | |
| Water SCHEMBL2507779 | 0.81 | GSK3B (0.57) | GSK3BGRM5VNN1CLK4ELANE | |
| Hydrochloric Acid SCHEMBL2031438 | 0.80 | GSK3B (0.61) | GSK3BGRM5XDHSLC22A12 | |
| SCHEMBL39137 | 0.80 | GSK3B (0.61) | GSK3BGRM5CLK1DYRK1ADYRK1B | |
| SCHEMBL4169583 | 0.80 | GSK3B (0.61) | GSK3BGRM5CLK1DYRK1ADYRK1B |
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-2021045879-A1 | SYNTHESIS OF DEUTERATED ALDEHYDES | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-03-11 | — | — | WO | disclosed |