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 | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.57 |
| ▸ | XDH | P47989 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.49 |
| ▸ | HBB | P68871 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 6/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 2/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 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 | |
|---|---|---|---|---|
| Thioguanine SCHEMBL1176577 | 0.95 | PNP (0.62) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL3701 | 0.95 | PNP (0.62) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL28849538 | 0.93 | PNP (0.54) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL27871419 | 0.93 | PNP (0.61) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL27833745 | 0.93 | PNP (0.61) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL28189108 | 0.93 | PNP (0.61) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL28385604 | 0.93 | PNP (0.61) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL10532086 | 0.87 | PNP (0.54) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL17515061 | 0.85 | PNP (0.57) | PNPXDHALDH1A1HPGDUSP2 | |
| Thioguanine SCHEMBL5977650 | 0.85 | PNP (0.57) | PNPXDHALDH1A1HPGDUSP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001603-A | water-soluble polycarbonate for medical applications | 国际商业机器公司 | 2017-08-01 | — | — | CN | disclosed |