Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.66 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7650617 | 0.94 | CCR5 (0.65) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7653699 | 0.92 | CCR5 (0.67) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7649659 | 0.88 | CCR5 (0.67) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7650129 | 0.88 | CCR5 (0.69) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7654848 | 0.86 | CCR5 (0.65) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7833271 | 0.86 | CCR5 (0.89) | CCR5 | |
| SCHEMBL7681794 | 0.86 | CCR5 (0.67) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7655471 | 0.86 | CCR5 (0.67) | CCR5KDM4EALDH1A1 | |
| SCHEMBL7650472 | 0.86 | CCR5 (0.67) | CCR5KDM4EALDH1A1TP53TSHR | |
| SCHEMBL7652090 | 0.86 | CCR5 (0.70) | CCR5KDM4EALDH1A1TP53TSHR |
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 5 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 |
| WO-2000051610-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |