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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 11/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | DPYD | Q12882 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11021291 | 0.78 | MCL1 (0.45) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL11018525 | 0.77 | GSK3B (0.45) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL1981825 | 0.77 | POLB (0.48) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL11024880 | 0.76 | MCL1 (0.43) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL11020907 | 0.74 | MCL1 (0.44) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL22542501 | 0.73 | KDM4E (0.48) | MCL1KDM4EALDH1A1HPGDCA1 | |
| SCHEMBL11020873 | 0.73 | ALDH1A1 (0.43) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| Lithium Ion SCHEMBL29745413 | 0.73 | DYRK1A (0.39) | CA1CA2 | |
| SCHEMBL11020538 | 0.71 | MCL1 (0.39) | MCL1KDM4EALDH1A1HPGDPIK3CD | |
| SCHEMBL11023321 | 0.71 | MCL1 (0.40) | MCL1KDM4EALDH1A1HPGDPIK3CD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2023-01-26 | — | — | US | disclosed |
| EP-4041229-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |
| CN-114727991-A | Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers | D·E·萧尔研究有限责任公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021071806-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230023559-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | KCNJ2, KCNA3, KCNH3 | MCL1 1351/4885KDM4E 241/4885ALDH1A1 1871/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.