Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7648389 | 0.92 | CCR5 (0.62) | CCR5ALDH1A1POLBHTTHCRTR1 | |
| SCHEMBL7648380 | 0.92 | CCR5 (0.62) | CCR5ALDH1A1POLBHTTHCRTR1 | |
| SCHEMBL7648385 | 0.92 | CCR5 (0.62) | CCR5ALDH1A1POLBHTTHCRTR1 | |
| SCHEMBL7654500 | 0.92 | CCR5 (0.59) | CCR5ALDH1A1POLBHTT | |
| SCHEMBL7650468 | 0.91 | CCR5 (0.64) | CCR5ALDH1A1 | |
| SCHEMBL7682203 | 0.88 | CCR5 (0.60) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL7653672 | 0.87 | CCR5 (0.62) | CCR5ALDH1A1 | |
| SCHEMBL7654848 | 0.86 | CCR5 (0.65) | CCR5ALDH1A1POLBHTTHCRTR1 | |
| SCHEMBL7651239 | 0.86 | CCR5 (0.65) | CCR5ALDH1A1 | |
| SCHEMBL7658040 | 0.86 | CCR5 (0.65) | CCR5ALDH1A1 |
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-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | claimed |
| US-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6372764-B1 | ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| WO-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |