Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.68 |
| ▸ | MGAM | O43451 | 1/20 | 0.68 |
| ▸ | SI | P14410 | 1/20 | 0.68 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.68 |
| ▸ | KDM6B | O15054 | 1/20 | 0.45 |
| ▸ | KDM5C | P41229 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.45 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3267499 | 0.85 | KDM6B (0.56) | GAAMGAMSIMGAM2KDM6B | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.83 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.83 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.83 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.83 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.83 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL4334303 | 0.80 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL17433571 | 0.80 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8417856 | 0.80 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL11027431 | 0.80 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 |
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-6500980-B1 | NITROSATION OF A COMPOUND CONTAINING TWO ELECTRON WITHDRAWING GROUPS AND AMIDATION BY REACTING WITH AN ANHYDRIDE AND CATALYTICALLY HYDROGENATING; PHARMACEUTICAL AND AGRICULTURAL INTERMEDIATES | DEGUSSA AG (DE) | 2002-12-31 | — | — | US | claimed |