Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5105673 | 0.77 | ALDH5A1 (0.57) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL14118267 | 0.73 | ALDH5A1 (0.52) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL7786865 | 0.71 | CA1 (0.50) | CA2CA1ALDH1A1MAPTMEN1 | |
| SCHEMBL1490910 | 0.71 | CES2 (0.52) | CA2CA1PARP10PARP2ALDH1A1 | |
| SCHEMBL1681375 | 0.71 | ALDH1A1 (0.52) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL195528 | 0.70 | CA2 (0.61) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL3433075 | 0.69 | CA2 (0.67) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL3753847 | 0.69 | CA2 (0.67) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL8840293 | 0.69 | CA1 (0.50) | GSK3BCA2CA1PARP15PARP10 | |
| SCHEMBL1225862 | 0.68 | CA2 (0.53) | GSK3BCA2CA1PARP15PARP10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2477698-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | Centre National de la Recherche Scientifique (FR) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033115-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-03-24 | — | — | WO | disclosed |