Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.49 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | VNN1 | O95497 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL507509 | 0.85 | MKNK1 (0.54) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL10829884 | 0.83 | SMN1; SMN2 (0.64) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL7621264 | 0.82 | NAPRT (0.62) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL1242243 | 0.82 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL29915528 | 0.82 | ALDH1A1 (0.71) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL1156118 | 0.81 | LMNA (0.63) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL125431 | 0.80 | ALDH1A1 (0.69) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL118227 | 0.80 | CES2 (0.77) | CES2CES1ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL30706508 | 0.80 | ALDH1A1 (0.69) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Hydrochloric Acid SCHEMBL27841975 | 0.80 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |