Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8213028 | 0.99 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19EPHX1 | |
| SCHEMBL8216601 | 0.90 | PIK3CA (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL8218351 | 0.89 | PIK3CA (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CA12 | |
| SCHEMBL8218995 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19EPHX1 | |
| SCHEMBL8211453 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19EPHX1 | |
| SCHEMBL8205327 | 0.88 | PIK3CD (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL8213051 | 0.87 | PIK3CA (0.53) | — | |
| SCHEMBL8206184 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19EPHX1 | |
| SCHEMBL8211608 | 0.87 | POLB (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19EPHX1 | |
| SCHEMBL8213031 | 0.87 | PIK3CD (0.40) | MEN1KMT2AALDH1A1 |
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-2057140-B1 | MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2012-08-08 | — | — | EP | disclosed |
| WO-2008023159-A1 | MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2008-02-28 | — | — | WO | disclosed |