Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPR3 | P17342 | 6/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530463 | 1.00 | NPR3 (0.55) | NPR3CYP2C9CYP2C19POLBPTGS2 | |
| SCHEMBL6510875 | 0.86 | NPR3 (0.44) | NPR3CYP2C9CYP2C19POLBELANE | |
| SCHEMBL6510872 | 0.86 | NPR3 (0.44) | NPR3CYP2C9CYP2C19POLBELANE | |
| SCHEMBL6527923 | 0.85 | MAPK1 (0.41) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6529452 | 0.85 | CDC7 (0.44) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6527935 | 0.85 | MAPK1 (0.41) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6530084 | 0.85 | RORC (0.45) | CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6530078 | 0.85 | RORC (0.45) | CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6529455 | 0.85 | CDC7 (0.44) | NPR3CYP2C9CYP2C19KCNH3CYP1A2 | |
| SCHEMBL6527960 | 0.84 | NPR3 (0.43) | NPR3CYP2C9CYP2C19POLBKCNH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |