Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pralatrexate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 14/20 | 0.98 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.98 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.98 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | TLR4 | O00206 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TYMS | P04818 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.64 |
| ▸ | GART | P22102 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| Pralatrexate SCHEMBL29904925 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL1890561 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL15075302 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL1889869 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL2336143 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL29904921 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL29355142 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL21633 | 0.99 | DHFR (1.00) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL17554355 | 0.98 | DHFR (0.98) | DHFRFOLR1SLC19A1SLC46A1KDM4E | |
| Pralatrexate SCHEMBL28201941 | 0.98 | DHFR (0.98) | DHFRFOLR1SLC19A1SLC46A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794610-B1 | PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE | PLUS CHEMICALS SA (CH) | 2016-03-09 | — | — | EP | disclosed |