Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586423 | 0.87 | CCR5 (0.41) | CCR5OPRM1OPRD1OPRK1DRD2 | |
| SCHEMBL4585393 | 0.85 | CCR5 (0.53) | CCR5OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4585402 | 0.85 | CCR5 (0.41) | CCR5OPRM1OPRD1OPRK1DRD2 | |
| SCHEMBL4587612 | 0.83 | CCR5 (0.51) | CCR5KCNH2 | |
| SCHEMBL4585491 | 0.82 | CCR5 (0.44) | CCR5OPRM1OPRD1OPRK1SLC6A4 | |
| SCHEMBL4585487 | 0.80 | OPRM1 (0.41) | CCR5OPRM1OPRD1OPRK1DRD2 | |
| SCHEMBL4586213 | 0.79 | NOS3 (0.42) | CCR5KCNH2 | |
| SCHEMBL4586627 | 0.72 | CCR5 (0.49) | CCR5OPRM1OPRD1OPRK1CHRM2 | |
| SCHEMBL4586432 | 0.71 | CCR5 (0.54) | CCR5DRD2 | |
| SCHEMBL4586731 | 0.71 | OPRM1 (0.53) | CCR5OPRM1DRD2CHRM2CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1708703-A4 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2008-04-09 | — | — | EP | disclosed |
| EP-1708703-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005059107-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2005-06-30 | — | — | WO | disclosed |