Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 12/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.40 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.40 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL17554401 | 0.98 | DHFR (0.43) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL17554414 | 0.98 | DHFR (0.43) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL17554416 | 0.91 | DHFR (0.44) | DHFRFOLR1SLC19A1SLC46A1 | |
| Potassium Ion SCHEMBL17554403 | 0.91 | DHFR (0.44) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17562254 | 0.84 | DHFR (0.46) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17554417 | 0.83 | DHFR (0.46) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17554357 | 0.83 | DHFR (0.46) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL17554406 | 0.83 | DHFR (0.46) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL15075284 | 0.73 | DHFR (0.41) | DHFRCA1CA2 | |
| SCHEMBL15054326 | 0.72 | DHFR (0.46) | DHFRFOLR1SLC19A1SLC46A1 |
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 |