Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Azathioprine. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.75 |
| ▸ | HBB | P68871 | 3/20 | 0.75 |
| ▸ | TP53 | P04637 | 2/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | GMNN | O75496 | 1/20 | 0.75 |
| ▸ | PGR | P06401 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Azathioprine SCHEMBL5716607 | 0.94 | MAPT (0.67) | MAPTHBBTP53LMNAGMNN | |
| Thiamiprine SCHEMBL15284276 | 0.90 | MAPT (0.59) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL29693611 | 0.87 | MAPT (1.00) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL4436347 | 0.87 | MAPT (1.00) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL4278 | 0.87 | MAPT (1.00) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL502599 | 0.86 | MAPT (0.98) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL3089846 | 0.86 | MAPT (0.98) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL317904 | 0.86 | MAPT (0.98) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL26152 | 0.86 | MAPT (0.98) | MAPTHBBTP53LMNAGMNN | |
| Azathioprine SCHEMBL8354969 | 0.82 | MAPT (0.82) | MAPTHBBTP53LMNAGMNN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2928876-B1 | NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS | MERCK SHARP & DOHME (US) | 2018-01-17 | — | — | EP | disclosed |
| EP-2928876-A1 | NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS | Merck Sharp & Dohme Corp. (US) | 2015-10-14 | — | — | EP | disclosed |
| WO-2014088923-A1 | NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS | MERCK SHARP & DOHME CORP. (US) | 2014-06-12 | — | — | WO | disclosed |
| US-6166024-A | Use of topical azathioprine and thioguanine to treat colorectal adenomas | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2000-12-26 | — | — | US | disclosed |