Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 12/20 | 0.71 |
| ▸ | FYN | P06241 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2122734 | 0.91 | PIK3CA (0.76) | PIK3CAFYNKDM4EALDH1A1HPGD | |
| SCHEMBL532459 | 0.85 | PIK3CA (0.53) | PIK3CAKDM4EALDH1A1HPGDHIF1A | |
| SCHEMBL2121448 | 0.83 | PIK3CA (1.00) | PIK3CAFYNKDM4EALDH1A1HPGD | |
| SCHEMBL2122629 | 0.83 | PIK3CA (0.80) | PIK3CAFYNKDM4EALDH1A1HPGD | |
| SCHEMBL532219 | 0.79 | PIK3CA (0.82) | PIK3CAFYNKDM4E | |
| SCHEMBL2122737 | 0.77 | PIK3CA (0.58) | PIK3CA | |
| SCHEMBL3714191 | 0.77 | PIK3CA (0.85) | PIK3CAFYNKDM4EALDH1A1HPGD | |
| SCHEMBL532710 | 0.76 | PIK3CA (0.58) | PIK3CA | |
| SCHEMBL15975810 | 0.76 | PIK3CA (0.73) | PIK3CAFYNKDM4EALDH1A1HPGD | |
| SCHEMBL2616030 | 0.75 | PIK3CA (0.49) | PIK3CAFYN |
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-2414369-A1 | IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES | Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112874-A1 | IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2010-10-07 | — | — | WO | disclosed |