Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4581478 | 0.89 | KMT2A (0.52) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL7619693 | 0.87 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL29915528 | 0.76 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL1242243 | 0.76 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL2784994 | 0.76 | ALDH1A1 (0.47) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Hydrochloric Acid SCHEMBL27841975 | 0.74 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL5610323 | 0.74 | KDM4C (0.41) | ALDH1A1GAASIRT3ROCK2ROCK1 | |
| SCHEMBL5610674 | 0.74 | TDP1 (0.52) | ALDH1A1GAAF7F3SARM1 | |
| SCHEMBL18228407 | 0.73 | MEN1 (0.69) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL11023133 | 0.73 | KDM4E (0.39) | ALDH1A1GAAF7F3SARM1 |
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-6103870-A | INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF ASTHMA | CYTEL CORPORATION (US) | 2000-08-15 | — | — | US | disclosed |