Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27700098 | 0.94 | TAAR1 (0.45) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL27705029 | 0.94 | TAAR1 (0.41) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL27700076 | 0.94 | TAAR1 (0.41) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL28764798 | 0.84 | TAAR1 (0.42) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL27700077 | 0.82 | MOK (0.44) | TAAR1 | |
| SCHEMBL27685986 | 0.82 | ITGB3 (0.39) | — | |
| SCHEMBL27700082 | 0.82 | MEN1 (0.40) | — | |
| SCHEMBL27680904 | 0.81 | TAAR1 (0.38) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL27680915 | 0.80 | NAMPT (0.40) | TAAR1SLC6A3KCNH2 | |
| SCHEMBL27700074 | 0.78 | KDM4E (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |