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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 17/20 | 0.70 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL3871711 | 0.97 | DHODH (0.73) | DHODHKDM5AKDM4CKDM5B | |
| SCHEMBL3871714 | 0.89 | DHODH (0.60) | DHODHKDM5AKDM4CKDM5B | |
| Aslan-003 SCHEMBL3914892 | 0.88 | DHODH (0.65) | DHODH | |
| Aslan-003 SCHEMBL3935061 | 0.86 | DHODH (0.67) | DHODH | |
| Lithium Ion SCHEMBL727803 | 0.84 | DHODH (1.00) | DHODH | |
| Lithium Ion SCHEMBL729152 | 0.83 | DHODH (1.00) | DHODHKDM5AKDM4CKDM5B | |
| SCHEMBL3873430 | 0.82 | DHODH (0.82) | DHODH | |
| SCHEMBL3872768 | 0.82 | DHODH (0.80) | DHODH | |
| SCHEMBL9943553 | 0.81 | DHODH (0.82) | DHODHKDM4C | |
| SCHEMBL727804 | 0.80 | DHODH (0.81) | DHODHKDM4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121614-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | Almirall, S.A. (ES) | 2009-11-25 | — | — | EP | claimed |
| WO-2008077639-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2008-07-03 | — | — | WO | claimed |