Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5111655 | 0.95 | CCR5 (0.63) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL4775617 | 0.86 | CCR5 (0.64) | CCR5 | |
| SCHEMBL4777105 | 0.86 | CCR5 (0.84) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL4775779 | 0.86 | CCR5 (0.64) | CCR5KDM4ELMNAGAA | |
| Trifluoroacetic Acid SCHEMBL4777069 | 0.85 | CCR5 (0.68) | CCR5KDM4ELMNAGAA | |
| Trifluoroacetic Acid SCHEMBL4777927 | 0.84 | CCR5 (0.64) | CCR5KDM4ELMNAGAA | |
| Trifluoroacetic Acid SCHEMBL4777815 | 0.83 | CCR5 (0.63) | CCR5KDM4ELMNAGAA | |
| Trifluoroacetic Acid SCHEMBL4768574 | 0.83 | CCR5 (0.63) | CCR5KDM4ELMNAGAA | |
| SCHEMBL7509134 | 0.81 | CCR5 (0.70) | CCR5KDM4ELMNAGAA | |
| Trifluoroacetic Acid SCHEMBL4778140 | 0.81 | CCR5 (0.60) | CCR5KDM4ELMNAGAA |
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-1886994-A1 | Cyclic amine compounds as CCR5 antagonists | Takeda Pharmaceutical Company Limited (JP) | 2008-02-13 | — | — | EP | disclosed |