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 | 8/20 | 0.95 |
| ▸ | HPGD | P15428 | 4/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.95 |
| ▸ | HBB | P68871 | 3/20 | 0.95 |
| ▸ | TP53 | P04637 | 2/20 | 0.95 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.95 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.44 |
| ▸ | PRNP | P04156 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 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 SCHEMBL1176622 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL19209580 | 0.95 | ALDH1A1 (0.95) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL4447613 | 0.81 | ALDH1A1 (0.69) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL12476114 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL4582542 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL1498067 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL5323979 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL14691260 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Hypoxanthine SCHEMBL122844 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Thioguanine SCHEMBL31327802 | 0.69 | ALDH1A1 (1.00) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117865983-A | Indane compound, preparation method and medical application thereof | 中国药科大学 | 2024-04-12 | — | — | CN | disclosed |
| CN-117865984-A | Naphthalene compound and preparation method and medical application thereof | 中国药科大学 | 2024-04-12 | — | — | CN | disclosed |
| CN-112812111-A | Benzothiazole compound and medical application thereof | 中国药科大学 | 2021-05-18 | — | — | CN | disclosed |
| CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 中国药科大学 | 2021-04-06 | — | — | CN | disclosed |
| US-10376649-B2 | Drug delivery device for delivery of two or more independently user selectable multiple doses of medicaments with user operable variable dose locking mechanisms | WOCKHARDT LIMITED (IN) | 2019-08-13 | — | — | US | disclosed |
| EP-3212257-A1 | A DRUG DELIVERY DEVICE FOR DELIVERY OF TWO OR MORE INDEPENDENTLY USER SELECTABLE MULTIPLE DOSES OF MEDICAMENTS WITH USER OPERABLE VARIABLE DOSE LOCKING MECHANISMS | Wockhardt Limited (IN) | 2017-09-06 | — | — | EP | disclosed |
| US-20170239422-A1 | A drug delivery device for delivery of two or more independently user selectable multiple doses of medicaments with user operable variable dose locking mechanisms | WOCKHARDT LIMITED (IN) | 2017-08-24 | — | — | US | disclosed |
| WO-2016067179-A1 | A DRUG DELIVERY DEVICE FOR DELIVERY OF TWO OR MORE INDEPENDENTLY USER SELECTABLE MULTIPLE DOSES OF MEDICAMENTS WITH USER OPERABLE VARIABLE DOSE LOCKING MECHANISMS | WOCKHARDT LIMITED (IN) | 2016-05-06 | — | — | WO | disclosed |
| EP-0120907-A1 | PHARMACEUTICAL PREPARATIONS FOR USE IN ANTITUMOUR THERAPY | Aston Molecules Limited (GB) | 1984-10-10 | — | — | EP | disclosed |
| WO-1984001506-A1 | PHARMACEUTICAL PREPARATIONS FOR USE IN ANTITUMOUR THERAPY | UNIV BIRMINGHAM (GB) | 1984-04-26 | — | — | WO | disclosed |