Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18956077 | 0.80 | CA12 (0.43) | PARP1ALDH1A1CDC7DYRK3IGF1R | |
| SCHEMBL22528928 | 0.72 | PARP1 (0.37) | PARP1ALDH1A1GSK3BACVR1MAPT | |
| SCHEMBL22528854 | 0.72 | PDPK1 (0.40) | PARP1PIM1ACVR1THRBGAA | |
| SCHEMBL1787033 | 0.71 | RAB9A (0.51) | PARP1ALDH1A1DYRK1AMAPTGAA | |
| SCHEMBL22528923 | 0.69 | ADORA1 (0.39) | PARP1ALDH1A1ACVR1 | |
| SCHEMBL1788065 | 0.68 | RAB9A (0.41) | NOTUMACVR1MAPTGAA | |
| SCHEMBL22528845 | 0.67 | CHEK1 (0.59) | PARP1ALDH1A1PIM1DYRK1ACLK4 | |
| SCHEMBL29719717 | 0.66 | NOTUM (0.53) | NOTUMGRM2CASP3GAA | |
| SCHEMBL354546 | 0.63 | PARP1 (0.41) | PARP1ALDH1A1PIM1GAA | |
| SCHEMBL12071484 | 0.62 | NOTUM (0.50) | NOTUMHSP90AB1GRM2CASP3GAA |
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-2017100591-A1 | HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF | LUC THERAPEUTICS (US) | 2017-06-15 | — | — | WO | disclosed |