Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 3/20 | 0.39 |
| ▸ | JAK1 | P23458 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3524300 | 0.85 | JAK2 (0.53) | JAK2JAK1NR1H2NR1H3 | |
| SCHEMBL27621499 | 0.81 | JAK2 (0.39) | CNR2JAK2JAK1NR1H2NR1H3 | |
| SCHEMBL3526611 | 0.81 | ALDH1A1 (0.48) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL3525622 | 0.79 | KMT2A (0.53) | ALDH1A1HSD17B10 | |
| SCHEMBL3530638 | 0.72 | SLC6A4 (0.43) | JAK2JAK1 | |
| SCHEMBL3529341 | 0.72 | SLC6A3 (0.43) | JAK2JAK1ALDH1A1GAA | |
| SCHEMBL3528335 | 0.72 | SLC6A3 (0.43) | JAK2JAK1 | |
| Tert-Butyl Formate SCHEMBL27621500 | 0.71 | JAK2 (0.35) | CNR2JAK2JAK1OPRM1OPRL1 | |
| SCHEMBL3530123 | 0.71 | APP (0.43) | JAK2JAK1OPRM1OPRL1 | |
| SCHEMBL3528131 | 0.69 | JAK2 (0.50) | JAK2JAK1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |