Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7665724 | 1.00 | CCR5 (0.52) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7497267 | 1.00 | CCR5 (0.52) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7932025 | 0.92 | CCR5 (0.51) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7496971 | 0.92 | CCR5 (0.51) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7658013 | 0.85 | CCR5 (0.52) | CCR5KCNH2DRD3 | |
| SCHEMBL7491389 | 0.83 | CCR5 (0.57) | CCR5 | |
| SCHEMBL7984578 | 0.83 | CCR5 (0.57) | CCR5 | |
| SCHEMBL7662342 | 0.83 | CCR5 (0.57) | CCR5KCNH2 | |
| SCHEMBL7504832 | 0.83 | CCR5 (0.57) | CCR5KCNH2 | |
| SCHEMBL7654628 | 0.83 | CCR5 (0.57) | CCR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| US-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |