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 | 0.63 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.63 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 11/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 11/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 11/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | MGMT | P16455 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19780 | 0.86 | PDPK1 (0.66) | PDPK1GDAMAP3K5CDK2DPP4 | |
| SCHEMBL29375916 | 0.86 | PDPK1 (0.66) | PDPK1GDAMAP3K5CDK2DPP4 | |
| Thioguanine SCHEMBL183648 | 0.86 | PDPK1 (0.66) | PDPK1GDAMAP3K5CDK2DPP4 | |
| SCHEMBL3857170 | 0.82 | PDPK1 (0.41) | PDPK1GDAMAP3K5CDK2DPP4 | |
| SCHEMBL30834852 | 0.81 | PDPK1 (0.40) | PDPK1GDAMAP3K5CDK2DPP4 | |
| 2,6-Diaminopurine SCHEMBL29143272 | 0.79 | PDPK1 (0.92) | PDPK1GDAMAP3K5CDK2DPP4 | |
| 2,6-Diaminopurine SCHEMBL24053 | 0.79 | PDPK1 (1.00) | PDPK1GDAMAP3K5CDK2DPP4 | |
| 2,6-Diaminopurine SCHEMBL27891733 | 0.77 | PDPK1 (0.96) | PDPK1GDAMAP3K5CDK2DPP4 | |
| 2,6-Diaminopurine SCHEMBL8757979 | 0.77 | PDPK1 (0.96) | PDPK1GDAMAP3K5CDK2DPP4 | |
| 2,6-Diaminopurine SCHEMBL28206545 | 0.77 | PDPK1 (0.96) | PDPK1GDAMAP3K5CDK2DPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586523-A4 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | UNIV YALE (US) | 1995-11-29 | — | — | EP | disclosed |
| EP-0586523-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1994-03-16 | — | — | EP | disclosed |
| WO-1992020816-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1992-11-26 | — | — | WO | disclosed |