Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | FGR | P09769 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.32 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL934331 | 0.71 | — | — | |
| SCHEMBL560128 | 0.71 | ALDH1A1 (0.56) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL28440948 | 0.70 | ALDH1A1 (0.43) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL2931225 | 0.69 | ALOX15 (0.46) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| Hydrochloric Acid SCHEMBL4521251 | 0.69 | ALDH1A1 (0.53) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| Methane SCHEMBL22720568 | 0.69 | ALDH1A1 (0.53) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL9478614 | 0.69 | ALDH1A1 (0.48) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL28440398 | 0.67 | CA1 (0.42) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL29905105 | 0.67 | ALDH1A1 (0.42) | ADORA2APTPRCALDH1A1L3MBTL1CD44 | |
| SCHEMBL28448451 | 0.67 | ALDH1A1 (0.58) | ADORA2APTPRCALDH1A1L3MBTL1CD44 |
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-1417202-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| WO-2002079186-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |