Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.68 |
| ▸ | PI4KA | P42356 | 1/20 | 0.68 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.68 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.68 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.68 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28950094 | 0.85 | ADORA2A (0.65) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL30984022 | 0.83 | ADORA2A (0.70) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2980291 | 0.83 | ADORA2A (0.70) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL14028468 | 0.82 | ADORA2A (0.59) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL4346676 | 0.81 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL30586358 | 0.81 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| 9-Benzyl-9H-Adenine SCHEMBL104932 | 0.81 | ADORA2A (1.00) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29096112 | 0.80 | ADORA2A (0.67) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28950108 | 0.79 | ADORA2A (0.60) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28950083 | 0.79 | ADORA2A (0.60) | ADORA2API4KAPI4K2BPI4K2API4KB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781432-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2010-08-24 | — | — | US | disclosed |
| WO-2008131501-A2 | NEW ANTI-VIRAL NUCLEOSIDE ANALOGS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2008-11-06 | — | — | WO | disclosed |
| EP-1612210-B1 | New analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2007-09-26 | — | — | EP | disclosed |
| US-20070197528-A1 | analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine | GRUENENTHAL GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
| EP-1761534-A2 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006002846-A2 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | disclosed |
| EP-1612210-A1 | New analogs of nitrobenzylthioinosine | Grünenthal GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070197528-A1 | analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine | TPMT, NLN, NNMT | ADORA2A 84/4885PI4KA 4560/4885PI4K2B 4671/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.