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 SCHEMBL19235640 | 1.00 | PDE3A (1.00) | PDE3APDE4DSLC29A1POLA1LMNA | |
| 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 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11185523-B2 | Use of bipolar trans carotenoids with chemotherapy and radiotherapy for treatment of cancer | DIFFUSION PHARMACEUTICALS LLC (US) | 2021-11-30 | — | — | US | disclosed |
| US-20190083439-A1 | USE OF BIPOLAR TRANS CAROTENOIDS WITH CHEMOTHERAPY AND RADIOTHERAPY FOR TREATMENT OF CANCER | DIFFUSION PHARMACEUTICALS LLC | 2019-03-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11185523-B2 | Use of bipolar trans carotenoids with chemotherapy and radiotherapy for treatment of cancer | RARB, RARG, MGMT | POLA1 2064/4885PDE3A 3455/4885PDE4D 2907/4885 |
| US-20190083439-A1 | USE OF BIPOLAR TRANS CAROTENOIDS WITH CHEMOTHERAPY AND RADIOTHERAPY FOR TREATMENT OF CANCER | RARB, RARG, MGMT | POLA1 2064/4885PDE3A 3455/4885PDE4D 2907/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.