Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091759 | 1.00 | KDM4E (0.33) | KDM4EIRAK4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL3642961 | 0.88 | KDM4E (0.39) | KDM4EIRAK4ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL3199228 | 0.78 | — | — | |
| SCHEMBL4761390 | 0.77 | — | — | |
| SCHEMBL1579432 | 0.76 | CARM1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1461782 | 0.74 | — | — | |
| SCHEMBL1579038 | 0.74 | — | — | |
| SCHEMBL1579155 | 0.74 | — | — | |
| SCHEMBL3778248 | 0.74 | — | — | |
| SCHEMBL2094018 | 0.73 | PKM (0.34) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |