Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 6/20 | 0.50 |
| ▸ | GSR | P00390 | 8/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Isosorbide Dinitrate SCHEMBL1553054 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL9439417 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL19528695 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL309369 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL8253 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL29532755 | 0.84 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL714959 | 0.82 | ALDH1A1 (0.95) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL3008938 | 0.82 | ALDH1A1 (0.95) | ALDH1A1MAPTBCHEGSRCA2 | |
| SCHEMBL10426835 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL28209664 | 0.80 | ALDH1A1 (0.91) | ALDH1A1MAPTBCHEGSRCA2 |
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-7521571-B2 | Disulfide, sulfide, sulfoxide, and sulfone derivatives of cyclic sugars and uses | LACER (ES) | 2009-04-21 | — | — | US | disclosed |