Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1890300 | 0.88 | ACHE (0.42) | — | |
| SCHEMBL27771411 | 0.87 | CYP19A1 (0.39) | — | |
| SCHEMBL4008553 | 0.84 | PDE4A (0.35) | — | |
| SCHEMBL4010687 | 0.80 | GAA (0.46) | ALDH1A1 | |
| SCHEMBL1895292 | 0.80 | PPARG (0.56) | AGTR1 | |
| SCHEMBL4009882 | 0.74 | ACHE (0.46) | — | |
| SCHEMBL27771441 | 0.74 | CYP19A1 (0.37) | — | |
| SCHEMBL4012560 | 0.74 | PPARG (0.49) | — | |
| SCHEMBL1890921 | 0.73 | ACHE (0.43) | — | |
| SCHEMBL4313277 | 0.73 | CD274 (0.41) | — |
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-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |