Known targets — ChEMBL curated mechanism
POLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PRIM1PRIM2RRM1RRM2RRM2B
The experimentally established mechanism targets of Gemcitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 known ✓ | P09884 | 2/20 | 0.61 |
| ▸ | PDE3A | Q14432 | 3/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 1/20 | 1.00 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | MTOR | P42345 | 1/20 | 0.60 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.60 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.60 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.60 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.49 |
| ▸ | CDA | P32320 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Gemcitabine SCHEMBL6369622 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL13262185 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL12737233 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL19526092 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL6761683 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL17858716 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL12503065 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL249738 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL20827751 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| Gemcitabine SCHEMBL9143689 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017133517-A1 | PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF | 四川海思科制药有限公司 | 2017-08-10 | — | — | WO | disclosed |