Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 20/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
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 SCHEMBL4420280 | 0.87 | CCR2 (0.66) | CCR2KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL5558180 | 0.86 | CCR2 (0.57) | CCR2KCNH2CCR5 | |
| SCHEMBL5558368 | 0.86 | CCR2 (0.52) | CCR2KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL5554138 | 0.84 | CCR2 (0.51) | CCR2KCNH2CCR5 | |
| SCHEMBL4417703 | 0.80 | CCR2 (0.68) | CCR2KCNH2CCR5 | |
| SCHEMBL4417701 | 0.80 | CCR2 (0.68) | CCR2KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL5554068 | 0.79 | CCR2 (0.62) | CCR2KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL4427320 | 0.79 | CCR2 (0.65) | CCR2KCNH2CCR5 | |
| SCHEMBL4416862 | 0.77 | CCR2 (0.64) | CCR2KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL5027367 | 0.77 | CCR2 (0.69) | CCR2KCNH2CCR5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606255-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-02-07 | — | — | EP | disclosed |
| EP-1606255-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004071460-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-08-26 | — | — | WO | disclosed |