Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | CA3 | P07451 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3526722 | 0.85 | KEAP1 (0.56) | KEAP1CA1CA2CA12CA9 | |
| SCHEMBL4312860 | 0.81 | KEAP1 (0.47) | KEAP1CA1CA2HSD17B10MCL1 | |
| SCHEMBL16369640 | 0.81 | ALDH1A1 (0.62) | CA1CA2CA12CA9CA7 | |
| SCHEMBL7538066 | 0.79 | CA2 (0.53) | CA1CA2CA12CA9CA7 | |
| SCHEMBL9661958 | 0.79 | PKM (0.60) | CA1CA2CA12CA9CA7 | |
| SCHEMBL10743411 | 0.78 | CA1 (0.56) | CA1CA2CA12CA9CA7 | |
| SCHEMBL1725674 | 0.78 | CA12 (0.58) | CA1CA2CA12CA9CA7 | |
| SCHEMBL1725851 | 0.78 | CSNK2A1 (0.53) | CA1CA2CA12CA9CA7 | |
| SCHEMBL28752237 | 0.78 | CA2 (0.49) | CA1CA2CA12CA9CA7 | |
| SCHEMBL1721422 | 0.76 | PKM (0.49) | CA1CA2CA12CA9CA7 |
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-1569647-B1 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1569647-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SmithKline Beecham Corporation (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054581-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |