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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 SCHEMBL4201611 | 0.83 | PTGS1 (0.41) | PTGS1SLC7A11CYP3A4SLC7A5 | |
| Mercaptopurine Anhydrous SCHEMBL6897151 | 0.80 | SMN1; SMN2 (0.45) | PTGS1SLC7A11CYP3A4SMN1; SMN2 | |
| Mercaptopurine Anhydrous SCHEMBL8843 | 0.78 | PI4KA (0.33) | PTGS1SMN1; SMN2 | |
| Mercaptopurine Anhydrous SCHEMBL5144252 | 0.77 | PI4KA (0.32) | PTGS1SMN1; SMN2 | |
| Mercaptopurine Anhydrous SCHEMBL734087 | 0.77 | PI4KA (0.32) | PTGS1SMN1; SMN2 | |
| SCHEMBL5282278 | 0.75 | SLC7A5 (0.45) | PTGS1CYP3A4SLC7A5 | |
| Hydrochloric Acid SCHEMBL5731122 | 0.74 | SLC7A5 (0.44) | PTGS1CYP3A4SLC7A5 | |
| Hydrochloric Acid SCHEMBL5925954 | 0.74 | SLC7A5 (0.44) | PTGS1CYP3A4SLC7A5 | |
| Hydrochloric Acid SCHEMBL5731129 | 0.74 | SLC7A5 (0.44) | PTGS1CYP3A4SLC7A5 | |
| SCHEMBL5323031 | 0.73 | GRM2 (0.43) | CYP3A4SLC7A5SMN1; SMN2 |
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 |