Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 9/20 | 0.71 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.58 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.58 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.58 |
| ▸ | TYMS | P04818 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765081 | 0.87 | DHFR (0.56) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9765074 | 0.87 | DHFR (0.56) | DHFRFOLR1SLC19A1SLC46A1 | |
| Edatrexate SCHEMBL1650127 | 0.83 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1TYMS | |
| Edatrexate SCHEMBL20769788 | 0.83 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1TYMS | |
| Edatrexate SCHEMBL4676 | 0.83 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1TYMS | |
| Edatrexate SCHEMBL29352085 | 0.83 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1TYMS | |
| SCHEMBL9544497 | 0.83 | DHFR (0.47) | DHFR | |
| SCHEMBL10692018 | 0.83 | DHFR (0.62) | DHFRFOLR1SLC19A1SLC46A1TYMS | |
| SCHEMBL14606168 | 0.82 | DHFR (0.81) | DHFRFOLR1SLC19A1TYMS | |
| SCHEMBL9540646 | 0.81 | DHFR (0.45) | DHFR |
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-5077404-A | Cyclized 5,10-dideazaaminopterin compounds | SRI INTERNATIONAL | 1991-12-31 | — | — | US | disclosed |