Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tegafur. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.97 |
| ▸ | MAPT | P10636 | 2/20 | 0.97 |
| ▸ | ESR1 | P03372 | 1/20 | 0.97 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Tegafur SCHEMBL4553 | 0.98 | LMNA (1.00) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL7698456 | 0.98 | LMNA (1.00) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL4552 | 0.98 | LMNA (1.00) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL8537231 | 0.98 | LMNA (1.00) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL22320166 | 0.97 | LMNA (0.97) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL28304686 | 0.96 | LMNA (0.94) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL28156468 | 0.96 | LMNA (0.94) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL28851751 | 0.94 | LMNA (0.92) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10940658 | 0.94 | LMNA (0.91) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 | |
| Tegafur SCHEMBL1276356 | 0.88 | LMNA (0.81) | LMNAMAPTESR1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090105206-A1 | Copper Melphalan And Copper Tegafur As Anti-Tumor Agents | CAVIRA BIOPHARMACEUTICALS AG (DE) | 2009-04-23 | — | — | US | disclosed |
| EP-1814536-A1 | COPPER MELPHALAN AND COPPER TEGAFUR USED AS ANTI-TUMORAL AGENTS | Gavira Biopharmaceuticals AG (DE) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006056449-A1 | COPPER MELPHALAN AND COPPER TEGAFUR USED AS ANTI-TUMORAL AGENTS | CAVIRA BIOPHARMACEUTICALS AG (DE) | 2006-06-01 | — | — | WO | disclosed |