Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 4/20 | 0.30 |
| ▸ | PDE2A | O00408 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL5037582 | 0.61 | CYP1A2 (0.50) | CYP3A4CYP1A2TSHRHIF1A | |
| SCHEMBL14203592 | 0.61 | CYP1A2 (0.40) | CYP1A2 | |
| SCHEMBL10227480 | 0.59 | ADORA2A (0.50) | — | |
| SCHEMBL15214876 | 0.57 | ADORA2A (0.54) | KDM4EALDH1A1 | |
| SCHEMBL2477008 | 0.56 | CDK1 (0.57) | — | |
| SCHEMBL22381514 | 0.55 | CYP1A2 (0.55) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL10176277 | 0.54 | PI4KA (0.50) | — | |
| SCHEMBL5016776 | 0.54 | ADORA2A (0.62) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL21943346 | 0.53 | CYP1A2 (0.51) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL23774610 | 0.52 | ADORA2A (0.52) | ADAPDE2ACYP3A4PDE4APDE4B |
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 |