Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13544017 | 0.88 | CCR5 (0.56) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL13544015 | 0.86 | CCR5 (0.71) | CCR5TSHRALDH1A1 | |
| SCHEMBL4683240 | 0.82 | CCR5 (0.54) | CCR5TACR1OPRD1TACR2TACR3 | |
| SCHEMBL6173121 | 0.81 | CCR5 (0.53) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL13544006 | 0.81 | CCR5 (0.92) | CCR5OPRD1 | |
| SCHEMBL13545381 | 0.78 | CCR5 (0.58) | CCR5MEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL4686130 | 0.77 | CCR5 (1.00) | CCR5OPRD1 | |
| SCHEMBL13544010 | 0.74 | CCR5 (0.78) | CCR5OPRD1 | |
| SCHEMBL14420443 | 0.74 | CCR5 (0.65) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL13545380 | 0.71 | CCR5 (0.51) | CCR5ALDH1A1TACR1TACR2TACR3 |
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 2 patents. 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 |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |