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 | 0.45 |
| ▸ | PI4KA | P42356 | 2/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| Adenine SCHEMBL4201626 | 0.83 | PI4KA (0.55) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL5493760 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL6897146 | 0.80 | PTGS1 (0.44) | SMN1; SMN2PTGS1SLC7A11CYP3A4 | |
| Adenine SCHEMBL4201615 | 0.78 | PI4KA (0.51) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL29684795 | 0.77 | LMNA (0.57) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| Mercaptopurine Anhydrous SCHEMBL8844 | 0.77 | LMNA (0.57) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| SCHEMBL5282288 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Adenine SCHEMBL29522302 | 0.76 | PI4KA (0.59) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL4447615 | 0.76 | MKNK1 (0.47) | SMN1; SMN2PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL31379732 | 0.75 | LMNA (0.55) | PI4KAPI4K2BPI4K2API4KBLMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975370-B9 | COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES | UNIV LELAND STANFORD JUNIOR (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-0975370-B1 | COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES | UNIV LELAND STANFORD JUNIOR (US) | 2003-10-15 | — | — | EP | disclosed |
| US-20020131965-A1 | Method for enhancing transport across biological membranes | ROTHBARD JONATHAN R (US) | 2002-09-19 | — | — | US | disclosed |
| US-6306993-B1 | DELIVERY OF PICLITAXEL ACROSS BIOLOGICAL MEMBRANES ATTACHED TO A LINKER | THE BOARD OF TRUSTEES OF THE LELAND STANFORD, JR. UNIVERSITY | 2001-10-23 | — | — | US | disclosed |
| EP-0975370-A2 | COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998052614-A2 | COMPOSITION AND METHOD FOR ENHANCING TRANSPORT ACROSS BIOLOGICAL MEMBRANES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1998-11-26 | — | — | WO | disclosed |