Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 11/20 | 0.59 |
| ▸ | FOLR1 | P15328 | 5/20 | 0.59 |
| ▸ | SLC19A1 | P41440 | 5/20 | 0.59 |
| ▸ | SLC46A1 | Q96NT5 | 5/20 | 0.59 |
| ▸ | DHFR | P00374 | 4/20 | 0.59 |
| ▸ | GART | P22102 | 3/20 | 0.59 |
| ▸ | ATIC | P31939 | 2/20 | 0.59 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.59 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.59 |
| ▸ | FRK | P42685 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL20207405 | 1.00 | TYMS (0.59) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207269 | 0.96 | TYMS (0.61) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207261 | 0.92 | TYMS (0.70) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207260 | 0.92 | TYMS (0.70) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207398 | 0.90 | TYMS (0.55) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207506 | 0.90 | TYMS (0.60) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL1302274 | 0.86 | TYMS (0.79) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL1302278 | 0.86 | TYMS (0.79) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL20207407 | 0.84 | TYMS (0.63) | TYMSFOLR1SLC19A1SLC46A1DHFR | |
| SCHEMBL7844331 | 0.84 | TYMS (0.72) | TYMSFOLR1SLC19A1SLC46A1DHFR |
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-2018096853-A1 | NOVEL MEDOXOMIL AND HEMIACETAL ESTERS OF PEMETREXED, PRODUCTION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING ESTER PRODRUG | 学校法人近畿大学 | 2018-05-31 | — | — | WO | disclosed |