Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4158586 | 0.90 | SCD5 (0.39) | SMN1; SMN2RORC | |
| SCHEMBL4157196 | 0.77 | OPRD1 (0.40) | HTTALDH1A1TOP2AOPRM1HSD11B1 | |
| SCHEMBL6200549 | 0.76 | CCR5 (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL7499000 | 0.76 | CCR5 (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL4147119 | 0.73 | RORC (0.41) | SMN1; SMN2RORC | |
| SCHEMBL8185070 | 0.73 | LMNA (0.38) | HTTSMN1; SMN2OPRM1SLC6A2SLC6A4 | |
| SCHEMBL7500263 | 0.70 | CCR5 (0.40) | SLC6A2SLC6A4 | |
| SCHEMBL7502461 | 0.70 | CCR5 (0.40) | SLC6A2SLC6A4 | |
| SCHEMBL5895396 | 0.70 | CYP4F2 (0.33) | — | |
| SCHEMBL13926751 | 0.69 | TOP2A (0.35) | TOP2AOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569931-B1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | EP | disclosed |