Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.61 |
| ▸ | ARG1 | P05089 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7548515 | 0.88 | CCR5 (0.68) | CCR5 | |
| SCHEMBL7546503 | 0.84 | CCR5 (0.87) | CCR5KCNH2 | |
| SCHEMBL7542224 | 0.82 | CCR5 (0.68) | CCR5ARG1 | |
| SCHEMBL7655305 | 0.76 | CCR5 (0.68) | CCR5ARG1 | |
| SCHEMBL7655310 | 0.76 | CCR5 (0.68) | CCR5ARG1 | |
| SCHEMBL7543468 | 0.73 | CCR5 (0.67) | CCR5ARG1KCNH2 | |
| SCHEMBL7544745 | 0.73 | CCR5 (0.64) | CCR5KCNH2 | |
| SCHEMBL7498924 | 0.72 | KDM1A (0.48) | CCR5 | |
| SCHEMBL7550208 | 0.71 | CCR5 (0.72) | CCR5KCNH2 | |
| SCHEMBL7492518 | 0.71 | ACHE (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |