Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CDK1 | P06493 | 1/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CD209 | Q9NNX6 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | AMY2A | P04746 | 2/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.44 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.44 |
| ▸ | LGALS4 | P56470 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Melibiose SCHEMBL4257775 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL20421903 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL21356838 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| SCHEMBL18650670 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL2354450 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL109659 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL24013212 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL21356841 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL21356840 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE | |
| Melibiose SCHEMBL1782423 | 1.00 | GAA (0.61) | GAACA2CDK1CCNB1ACHE |
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-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |