Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7491951 | 0.88 | CCR5 (0.42) | CCR5 | |
| SCHEMBL7494121 | 0.88 | CCR5 (0.42) | CCR5 | |
| SCHEMBL7972702 | 0.79 | CCR5 (0.50) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7495359 | 0.79 | CCR5 (0.50) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7503238 | 0.78 | HRH3 (0.37) | CCR5 | |
| SCHEMBL7938562 | 0.78 | HRH3 (0.37) | CCR5 | |
| SCHEMBL7938559 | 0.78 | HRH3 (0.37) | CCR5 | |
| SCHEMBL7723461 | 0.78 | CCR5 (0.52) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7543518 | 0.78 | CCR5 (0.52) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7489587 | 0.78 | CCR5 (0.52) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C |
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-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |