Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 17/20 | 0.63 |
| ▸ | DHFR | P00374 | 3/20 | 0.63 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.63 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.63 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.63 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.63 |
| ▸ | GART | P22102 | 1/20 | 0.63 |
| ▸ | ATIC | P31939 | 1/20 | 0.63 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.63 |
| ▸ | FRK | P42685 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL12238844 | 0.91 | TYMS (0.74) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL16661582 | 0.91 | TYMS (0.62) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL15061080 | 0.91 | TYMS (0.62) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL2610602 | 0.88 | TYMS (0.67) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL12598435 | 0.87 | TYMS (0.66) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL12042271 | 0.87 | TYMS (0.66) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL14665910 | 0.86 | GART (0.81) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL13448780 | 0.86 | TYMS (0.67) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL94872 | 0.81 | GART (0.77) | TYMSDHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL12905859 | 0.81 | TYMS (0.59) | TYMSDHFRFOLR1SLC19A1SLC46A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007071958-A2 | COMBINATION OF ZD6474 AND PEMETREXED | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |