Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 18/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14207851 | 0.90 | CCR2 (0.42) | CCR2ALDH1A1 | |
| SCHEMBL1890638 | 0.85 | CCR2 (0.39) | CCR2ALDH1A1 | |
| SCHEMBL1892474 | 0.81 | SLC33A1 (0.54) | — | |
| SCHEMBL27792438 | 0.79 | CYP19A1 (0.39) | CCR2CCR5ALDH1A1 | |
| SCHEMBL1897431 | 0.73 | PPARG (0.52) | — | |
| SCHEMBL27771568 | 0.72 | CCR2 (0.37) | CCR2CCR5ALDH1A1 | |
| SCHEMBL1894965 | 0.72 | TNIK (0.34) | CCR2 | |
| SCHEMBL27792425 | 0.70 | TSHR (0.43) | ALDH1A1 | |
| SCHEMBL1894719 | 0.69 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL1891449 | 0.68 | SLC33A1 (0.52) | — |
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-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |