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 | 0.69 |
| ▸ | HPGD | P15428 | 4/20 | 0.69 |
| ▸ | HBB | P68871 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.69 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL1176622 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL3893 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL316717 | 0.81 | ALDH1A1 (0.95) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL18264092 | 0.81 | ALDH1A1 (0.95) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL671497 | 0.81 | ALDH1A1 (0.95) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL11039488 | 0.81 | ALDH1A1 (0.95) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL19209580 | 0.81 | ALDH1A1 (0.95) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL28848588 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL4582542 | 0.75 | ALDH1A1 (0.57) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 | |
| Mercaptopurine Anhydrous SCHEMBL12476115 | 0.71 | ALDH1A1 (0.74) | ALDH1A1HPGDHBBSMN1; SMN2TDP1 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3638320-A2 | IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-04-22 | — | — | EP | disclosed |
| EP-3619191-A1 | PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-03-11 | — | — | EP | disclosed |
| WO-2018204872-A2 | IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2018-11-08 | — | — | WO | disclosed |
| WO-2018204869-A1 | PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2018-11-08 | — | — | WO | disclosed |
| WO-2018160178-A1 | PHARMACEUTICALLY ACCEPTABLE SALTS OF B-GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF | RGENIX, INC. (US) | 2018-09-07 | — | — | WO | disclosed |
| EP-3340973-A1 | PHARMACEUTICALLY ACCEPTABLE SALTS OF -GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF | Rgenix, Inc. (US) | 2018-07-04 | — | — | EP | disclosed |
| EP-3237450-A1 | ANTI-MERTK AGONISTIC ANTIBODIES AND USES THEREOF | The Rockefeller University (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-3137447-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Rgenix, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| WO-2017035331-A1 | PHARMACEUTICALLY ACCEPTABLE SALTS OF β-GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF | RGENIX, INC. (US) | 2017-03-02 | — | — | WO | disclosed |
| EP-3091970-A1 | LXR AGONISTS AND USES THEREOF | Rgenix, Inc. (US) | 2016-11-16 | — | — | EP | disclosed |
| EP-1651211-A4 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX INC (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006122007-A1 | COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2006-11-16 | — | — | WO | disclosed |
| WO-2006113718-A2 | COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2006-10-26 | — | — | WO | disclosed |
| EP-1651211-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2006-05-03 | — | — | EP | disclosed |
| EP-1545544-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2005011572-A2 | COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004073631-A2 | COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004006842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004006906-A2 | METHODS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007676-A2 | COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |