Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL363868 | 0.89 | CCR9 (0.34) | CCR9ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL365288 | 0.89 | CCR9 (0.34) | CCR9ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL364634 | 0.87 | PROKR1 (0.35) | CCR9PROKR1 | |
| SCHEMBL363084 | 0.86 | SORT1 (0.34) | CCR9PROKR1 | |
| SCHEMBL364587 | 0.86 | SORT1 (0.34) | CCR9PROKR1 | |
| SCHEMBL362712 | 0.86 | SORT1 (0.34) | CCR9PROKR1 | |
| SCHEMBL363020 | 0.86 | ATR (0.35) | ATRPTGS2PTGS1MAPK14 | |
| SCHEMBL365757 | 0.85 | CDC7 (0.35) | CCR9FLT4PROKR1 | |
| SCHEMBL364004 | 0.82 | MAPT (0.41) | — | |
| SCHEMBL363070 | 0.80 | ALDH1A1 (0.41) | PROKR1 |
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-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |