Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 7/20 | 0.73 |
| ▸ | DHFR | P00374 | 1/20 | 0.73 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.73 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.73 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.73 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.73 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.73 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL9729742 | 0.90 | TYMS (0.74) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| SCHEMBL9724246 | 0.88 | TYMS (0.73) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL12022787 | 0.86 | TYMS (0.74) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL7438 | 0.84 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL29490413 | 0.84 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL13959 | 0.84 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL12078376 | 0.84 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL6240639 | 0.84 | TYMS (1.00) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL21248507 | 0.84 | TYMS (0.98) | TYMSDHFRFOLR2FOLR1SLC19A1 | |
| Raltitrexed SCHEMBL16583752 | 0.84 | TYMS (0.98) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |