Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 15/20 | 0.85 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511844 | 0.96 | CCR5 (0.85) | CCR5OPRK1SLC6A3HTR1AADORA3 | |
| SCHEMBL13544007 | 0.92 | CCR5 (1.00) | CCR5OPRK1ADORA3HTR2COPRM1 | |
| SCHEMBL13544013 | 0.89 | CCR5 (0.66) | CCR5OPRM1OPRL1 | |
| SCHEMBL4679383 | 0.88 | CCR5 (1.00) | CCR5OPRK1ADORA3HTR2COPRM1 | |
| SCHEMBL4679294 | 0.86 | CCR5 (0.68) | CCR5OPRM1OPRL1 | |
| SCHEMBL13544010 | 0.85 | CCR5 (0.78) | CCR5OPRK1HTR1AOPRM1OPRD1 | |
| SCHEMBL4685629 | 0.83 | CCR5 (0.64) | CCR5OPRM1OPRL1 | |
| SCHEMBL4682434 | 0.83 | CCR5 (0.85) | CCR5HTR1AOPRM1OPRL1 | |
| SCHEMBL6170250 | 0.82 | CCR5 (0.63) | CCR5OPRK1SLC6A3HTR1AADORA3 | |
| SCHEMBL13544014 | 0.81 | CCR5 (0.86) | CCR5OPRK1SLC6A3HTR1ACACNA1F |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |