Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL7687830 | 1.00 | CCR5 (0.52) | CCR5DRD2HSD11B1P2RX7CCR2 | |
| SCHEMBL7687718 | 0.84 | CCR5 (0.50) | CCR5DRD2HSD11B1CCR2 | |
| SCHEMBL7681785 | 0.84 | CCR5 (0.50) | CCR5DRD2HSD11B1CCR2 | |
| SCHEMBL7689311 | 0.81 | CCR5 (0.49) | CCR5DRD2HSD11B1CCR2 | |
| SCHEMBL7689309 | 0.81 | CCR5 (0.49) | CCR5DRD2HSD11B1CCR2 | |
| SCHEMBL7681794 | 0.80 | CCR5 (0.67) | CCR5ALDH1A1 | |
| SCHEMBL7681800 | 0.80 | CCR5 (0.67) | CCR5ALDH1A1 | |
| SCHEMBL7833809 | 0.79 | CCR5 (0.81) | CCR5 | |
| SCHEMBL7690269 | 0.77 | CCR5 (0.48) | CCR5KMT2A | |
| SCHEMBL7690273 | 0.77 | CCR5 (0.48) | CCR5KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | claimed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | claimed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |