Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Thymine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.76 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | DPYD | Q12882 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Thymine SCHEMBL28570793 | 1.00 | ATAD2 (0.76) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL188134 | 0.98 | ATAD2 (0.79) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL1452487 | 0.98 | ATAD2 (0.79) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL4349014 | 0.98 | ATAD2 (0.79) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL3364510 | 0.98 | ATAD2 (0.79) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL6911382 | 0.90 | ATAD2 (0.73) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL6911389 | 0.88 | ATAD2 (0.76) | ATAD2GAADPYDLMNAMAPT | |
| Thymine SCHEMBL5235 | 0.87 | — | — | |
| Thymine SCHEMBL29669526 | 0.87 | — | — | |
| Thymine SCHEMBL15323914 | 0.87 | ATAD2 (1.00) | ATAD2GAADPYDLMNAMAPT |
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-107737339-B | Calcium phosphate-biomolecule composite material and preparation method thereof | 中国科学院上海硅酸盐研究所 | 2021-06-15 | — | — | CN | disclosed |