Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Doxorubicin. 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 | |
|---|---|---|---|---|
| ▸ | TOP2A known ✓ | P11388 | 4/20 | 0.95 |
| ▸ | MEN1 | O00255 | 9/20 | 0.95 |
| ▸ | THRB | P10828 | 9/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.95 |
| ▸ | BLM | P54132 | 8/20 | 0.95 |
| ▸ | RECQL | P46063 | 7/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.95 |
| ▸ | BRCA1 | P38398 | 6/20 | 0.95 |
| ▸ | MAPT | P10636 | 6/20 | 0.95 |
| ▸ | S100A4 | P26447 | 6/20 | 0.95 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.95 |
| ▸ | USP2 | O75604 | 4/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.95 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.95 |
| ▸ | STAT6 | P42226 | 4/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.95 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.95 |
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 | |
|---|---|---|---|---|
| Doxorubicin SCHEMBL23753547 | 1.00 | MEN1 (0.95) | MEN1THRBKMT2ABLMRECQL | |
| Doxorubicin SCHEMBL28086230 | 1.00 | MEN1 (0.95) | MEN1THRBKMT2ABLMRECQL | |
| Epirubicin SCHEMBL18263941 | 0.99 | MEN1 (0.95) | MEN1THRBKMT2ABLMRECQL | |
| Doxorubicin SCHEMBL147967 | 0.99 | MEN1 (0.95) | MEN1THRBKMT2ABLMRECQL | |
| Epirubicin SCHEMBL1030848 | 0.99 | MEN1 (0.95) | MEN1THRBKMT2ABLMRECQL | |
| Epirubicin SCHEMBL8183120 | 0.99 | MEN1 (0.92) | MEN1THRBKMT2ABLMRECQL | |
| Epirubicin SCHEMBL94408 | 0.98 | MEN1 (0.92) | MEN1THRBKMT2ABLMRECQL | |
| Doxorubicin SCHEMBL28183637 | 0.98 | MEN1 (0.92) | MEN1THRBKMT2ABLMRECQL | |
| Doxorubicin SCHEMBL13858183 | 0.98 | MEN1 (0.92) | MEN1THRBKMT2ABLMRECQL | |
| Epirubicin SCHEMBL28229817 | 0.97 | MEN1 (0.97) | MEN1THRBKMT2ABLMRECQL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2040728-B1 | FKBP-L AND USES THEREOF AS INHIBITORS OF ANGIOGENESIS | ALMAC DISCOVERY LTD (GB) | 2015-09-02 | — | — | EP | disclosed |
| EP-2074128-A1 | THERAPEUTIC PYRAZOLYL THIENOPYRIDINES | Pfizer Products Incorporated (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008047198-A1 | THERAPEUTIC PYRAZOLYL THIENOPYRIDINES | PFIZER PRODUCTS INC. (US) | 2008-04-24 | — | — | WO | disclosed |