Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fluorouracil. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | HBB | P68871 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 8/20 | 0.46 |
| ▸ | PPARD | Q03181 | 8/20 | 0.46 |
| ▸ | PPARA | Q07869 | 8/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Palmitic Acid SCHEMBL8913279 | 0.99 | TSHR (0.54) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Myristic Acid SCHEMBL7613826 | 0.99 | TSHR (0.54) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Adipic Acid SCHEMBL28687655 | 0.92 | LMNA (0.66) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Fluorouracil SCHEMBL30516153 | 0.84 | LMNA (0.63) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Octanoic Acid SCHEMBL28861290 | 0.81 | PPARG (0.49) | TSHRALDH1A1MAPTLMNACYP19A1 | |
| Fluorouracil SCHEMBL20775915 | 0.79 | LMNA (0.70) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Fluorouracil SCHEMBL28604085 | 0.78 | LMNA (0.58) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Fluorouracil SCHEMBL2370216 | 0.77 | SMN1; SMN2 (0.61) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Fluorouracil SCHEMBL10004716 | 0.77 | LMNA (0.61) | TSHRALDH1A1MAPTLMNASMN1; SMN2 | |
| Fluorouracil SCHEMBL21570798 | 0.77 | LMNA (0.61) | TSHRALDH1A1MAPTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109761915-B | 5-fluorouracil ester-forming prodrugs targeting the MCT1 transporter | 沈阳药科大学 | 2021-12-21 | — | — | CN | disclosed |