Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | ADCY5 | O95622 | 3/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.30 |
| ▸ | PIK3R1 | P27986 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5046774 | 0.75 | ADA (0.30) | CYP1A2TSHR | |
| SCHEMBL5037582 | 0.71 | CYP1A2 (0.50) | CYP1A2TSHRADORA2ACYP2D6 | |
| SCHEMBL14086581 | 0.67 | ADORA2A (0.69) | CYP1A2TSHRADORA2AADCY5ADORA2B | |
| SCHEMBL13870064 | 0.64 | ADORA2A (0.71) | CYP1A2TSHRADORA2AADCY5ADORA2B | |
| SCHEMBL14203592 | 0.63 | CYP1A2 (0.40) | CYP1A2 | |
| SCHEMBL1082007 | 0.58 | ADORA2A (0.61) | CYP1A2TSHRADORA2ATLR7TLR9 | |
| SCHEMBL11595837 | 0.58 | FDPS (0.52) | CYP1A2TSHRADORA2ACYP2D6MAPK1 | |
| SCHEMBL13870051 | 0.58 | ADORA2A (0.69) | ADORA2AADORA2BADORA1NSD3 | |
| SCHEMBL13870044 | 0.58 | ADORA2A (0.43) | CYP1A2TSHRMAPK13MAPK12MAPK11 | |
| SCHEMBL14086394 | 0.57 | FDPS (0.49) | CYP1A2TSHRMAPK13MAPK12MAPK11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1492803-B1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | GRUENENTHAL GMBH (DE) | 2008-06-11 | — | — | EP | disclosed |
| EP-1492803-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003084975-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2003-10-16 | — | — | WO | disclosed |
| EP-1352910-A1 | New analogs of nitrobenzylthioinosine | Grünenthal GmbH (DE) | 2003-10-15 | — | — | EP | disclosed |