Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.55 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.55 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.55 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.55 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28614753 | 1.00 | TYMS (0.55) | TYMSFOLR1DHFRFOLR2SLC19A1 | |
| SCHEMBL27559568 | 0.82 | CA2 (0.53) | FOLR1FOLR2SLC19A1SLC46A1CA2 | |
| SCHEMBL9600674 | 0.81 | CA2 (0.52) | TYMSFOLR1FOLR2SLC19A1SLC46A1 | |
| SCHEMBL9600688 | 0.81 | CA2 (0.52) | TYMSFOLR1FOLR2SLC19A1SLC46A1 | |
| SCHEMBL27513231 | 0.80 | TYMS (0.55) | TYMSFOLR1DHFRFOLR2SLC19A1 | |
| SCHEMBL9829787 | 0.80 | TYMS (0.55) | TYMSFOLR1DHFRFOLR2SLC19A1 | |
| SCHEMBL9829799 | 0.80 | TYMS (0.55) | TYMSFOLR1DHFRFOLR2SLC19A1 | |
| SCHEMBL9379643 | 0.78 | TYMS (0.56) | TYMSFOLR1DHFRFOLR2SLC19A1 | |
| SCHEMBL9514889 | 0.78 | TYMS (0.55) | TYMS | |
| SCHEMBL9379640 | 0.78 | TYMS (0.56) | TYMSFOLR1DHFRFOLR2SLC19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117327060-A | Preparation method of intermediate impurity of raltitrexed | 无锡紫杉药业股份有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-109280044-B | Raltitrexed impurity C and preparation and application thereof | 南京正大天晴制药有限公司 | 2021-04-02 | — | — | CN | disclosed |