Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mercaptopurine Anhydrous. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | HBB | P68871 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | XDH | P47989 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.35 |
| ▸ | PRNP | P04156 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Purine SCHEMBL29456595 | 0.84 | — | — | |
| Purine SCHEMBL6421376 | 0.84 | KDM4A (0.38) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL3157 | 0.84 | — | — | |
| Purine SCHEMBL2120547 | 0.84 | KDM4A (0.38) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL311318 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL6438162 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL9057416 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL1150716 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL5578775 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Purine SCHEMBL5611476 | 0.82 | KDM4A (0.37) | ALDH1A1HPGDSMN1; SMN2HBBTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150012286-A1 | INSTRUMENTS AND METHODS FOR OBTAINING INFORMED CONSENT TO GENETIC TESTS | NAT BIOMEDICAL RES FOUNDATION (US) | 2015-01-08 | — | — | US | disclosed |