Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Raltitrexed. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS known ✓ | P04818 | 8/20 | 0.72 |
| ▸ | DHFR | P00374 | 1/20 | 0.72 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.72 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.72 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.72 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.72 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Raltitrexed SCHEMBL29454789 | 0.95 | TYMS (0.78) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL7439 | 0.95 | TYMS (0.78) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL16766843 | 0.95 | TYMS (0.78) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL4954885 | 0.91 | TYMS (0.88) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL3274944 | 0.90 | TYMS (0.70) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL28116777 | 0.89 | TYMS (0.91) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL16366393 | 0.89 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL22104584 | 0.88 | TYMS (0.67) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL16366259 | 0.87 | TYMS (0.65) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL25904644 | 0.87 | TYMS (0.65) | TYMSDHFRFOLR2FOLR1SLC19A1 |
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-104983493-B | Foley's tube for carrying drug delivery device | 萨诺瓦斯股份有限公司 | 2017-07-11 | — | — | CN | disclosed |
| CN-106362274-A | Nested balloon catheter for localized drug delivery | 萨诺瓦斯股份有限公司 | 2017-02-01 | — | — | CN | disclosed |