Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Thioguanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 11/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 10/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 10/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.36 |
| ▸ | MGMT | P16455 | 3/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4456222 | 0.88 | XDH (0.34) | DPP4 | |
| SCHEMBL4453574 | 0.88 | — | — | |
| SCHEMBL4452455 | 0.87 | MGMT (0.40) | PDPK1GDACDK2DPP4CDK1 | |
| Mercaptopurine Anhydrous SCHEMBL4451627 | 0.84 | LMNA (0.36) | PDPK1CYP1A2 | |
| SCHEMBL4453628 | 0.84 | MAP3K5 (0.58) | PDPK1GDACDK2DPP4CDK1 | |
| SCHEMBL4459869 | 0.77 | XDH (0.37) | DPP4 | |
| SCHEMBL4456886 | 0.77 | — | — | |
| SCHEMBL4457015 | 0.75 | LMNA (0.36) | PDPK1CDK2HRH4CYP1A2 | |
| SCHEMBL4457972 | 0.74 | MAP3K5 (0.43) | MAP3K5CYP1A2 | |
| Thioguanine SCHEMBL183648 | 0.74 | PDPK1 (0.66) | PDPK1GDACDK2DPP4CDK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1844063-A4 | PURINE NUCLEOSIDE ANALOGS | UTI LIMITED PARTNERSHIP (CA) | 2009-06-17 | — | — | EP | claimed |
| US-20080070860-A1 | Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside | UTI LIMITED PARTNERSHIP (CA) | 2008-03-20 | — | — | US | claimed |
| EP-1844063-A1 | PURINE NUCLEOSIDE ANALOGS | Uti Limited Partnership (CA) | 2007-10-17 | — | — | EP | claimed |
| WO-2006081665-A1 | PURINE NUCLEOSIDE ANALOGS | UTI LIMITED PARTNERSHIP (CA) | 2006-08-10 | — | — | WO | claimed |
| EP-1844063-A4 | PURINE NUCLEOSIDE ANALOGS | UTI LIMITED PARTNERSHIP (CA) | 2009-06-17 | — | — | EP | disclosed |
| US-20080070860-A1 | Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside | UTI LIMITED PARTNERSHIP (CA) | 2008-03-20 | — | — | US | disclosed |
| EP-1844063-A1 | PURINE NUCLEOSIDE ANALOGS | Uti Limited Partnership (CA) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006081665-A1 | PURINE NUCLEOSIDE ANALOGS | UTI LIMITED PARTNERSHIP (CA) | 2006-08-10 | — | — | WO | 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-20080070860-A1 | Purine nucleoside analogs that are selective ligands of the purine salvage pathway enzyme adenosine phosphorylase (AP) found in bacteria and protozoa; 2-chloro-5'-deoxyadenosine; 2-chloro-6-methylpurine-5'-deoxyriboside | PNP, MTAP, TYMP | PDPK1 610/4885GDA 43/4885CDK2 732/4885 |
“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.