Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Capecitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | ADK | P55263 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Capecitabine SCHEMBL12029777 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL231286 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL4939140 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL2184820 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL10013531 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL236850 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL12302025 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL2470888 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL12948190 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 | |
| Capecitabine SCHEMBL12301996 | 1.00 | LMNA (1.00) | LMNAADKTSHRMAPTPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3186231-B1 | PROCESS FOR PRODUCING FLUOROCYTOSINE AND FLUOROCYTOSINE DERIVATIVES | UNIV DURHAM (GB) | 2019-07-10 | — | — | EP | disclosed |