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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PI4KA | P42356 | 2/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Mercaptopurine Anhydrous SCHEMBL6897151 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL29684795 | 0.77 | LMNA (0.57) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL8844 | 0.77 | LMNA (0.57) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL4447615 | 0.76 | MKNK1 (0.47) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL30834915 | 0.75 | LMNA (0.55) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL31379732 | 0.75 | LMNA (0.55) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL734088 | 0.75 | LMNA (0.55) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL28474534 | 0.75 | HSD17B10 (0.50) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Adenine SCHEMBL29522302 | 0.73 | PI4KA (0.59) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL11412422 | 0.68 | HIF1A (0.43) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB |
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-20070072800-A1 | Conjugates for cancer therapy and diagnosis | BIOSIGHT LTD. (IL) | 2007-03-29 | — | — | US | 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-20070072800-A1 | Conjugates for cancer therapy and diagnosis | ASNS, SLC1A5, QPCT | SMN1; SMN2 3305/4885PI4KA 2071/4885PI4K2B 3657/4885 |
“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.