Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC29A1 | Q99808 | 16/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14203592 | 0.86 | CYP1A2 (0.40) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL5040197 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRSLC29A1ADORA2ACYP3A4 | |
| SCHEMBL6447906 | 0.81 | SLC29A1 (0.46) | CYP1A2SLC29A1 | |
| SCHEMBL5040813 | 0.73 | SLC29A1 (0.77) | SLC29A1 | |
| SCHEMBL5040214 | 0.73 | SLC29A1 (0.71) | SLC29A1 | |
| SCHEMBL5046770 | 0.71 | CYP1A2 (0.36) | CYP1A2TSHRADORA2ACYP2D6 | |
| SCHEMBL5042024 | 0.69 | CYP1A2 (0.54) | CYP1A2TSHRSLC29A1ADORA2A | |
| SCHEMBL14203577 | 0.66 | CYP1A2 (0.42) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL2115918 | 0.66 | ADORA2A (0.68) | CYP1A2TSHRADORA2ACYP2D6 | |
| SCHEMBL14203624 | 0.66 | CYP1A2 (0.46) | CYP1A2SLC29A1 |
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 13 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 | claimed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | claimed |
| JP-2005526106-A | — | — | 2005-09-02 | — | — | JP | claimed |
| US-20050096293-A1 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2005-05-05 | — | — | US | claimed |
| EP-1492803-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2005-01-05 | — | — | EP | claimed |
| WO-2003084975-A1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | Grünenthal GmbH (DE) | 2003-10-16 | — | — | WO | claimed |
| EP-1352910-A1 | New analogs of nitrobenzylthioinosine | Grünenthal GmbH (DE) | 2003-10-15 | — | — | EP | claimed |
| EP-1492803-B1 | NEW ANALOGS OF NITROBENZYLTHIOINOSINE | GRUENENTHAL GMBH (DE) | 2008-06-11 | — | — | EP | disclosed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-20050096293-A1 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2005-05-05 | — | — | US | disclosed |
| EP-1352910-A1 | New analogs of nitrobenzylthioinosine | Grünenthal GmbH (DE) | 2003-10-15 | — | — | 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-20050096293-A1 | Analogs of nitrobenzylthioinosine | NUDT1, TYMP, NNMT | CYP1A2 2256/4885TSHR 2011/4885SLC29A1 159/4885 |
“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.