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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 9/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29628231 | 0.81 | SLC6A3 (0.46) | ALDH2NOTUMBTKJAK2JAK1 | |
| SCHEMBL21380919 | 0.77 | NOTUM (0.50) | ALDH2NOTUMBTKJAK2JAK1 | |
| SCHEMBL29564228 | 0.77 | NOTUM (0.50) | ALDH2NOTUMBTKJAK2JAK1 | |
| SCHEMBL15902337 | 0.72 | BCAT2 (0.56) | NOTUMBTKIKBKB | |
| SCHEMBL31055668 | 0.69 | MGLL (0.48) | ALDH2NOTUMMAP4K4MGLL | |
| SCHEMBL30612313 | 0.69 | ROCK2 (0.59) | NOTUMBTK | |
| SCHEMBL6042142 | 0.65 | NOTUM (0.77) | ALDH2NOTUMMAP4K4PDE3BPDE3A | |
| SCHEMBL29465044 | 0.64 | NOTUM (0.58) | ALDH2NOTUMBTKPDE3BPDE3A | |
| SCHEMBL29892444 | 0.64 | NOTUM (0.58) | ALDH2NOTUMBTKPDE3BPDE3A | |
| SCHEMBL3475271 | 0.64 | AHR (0.50) | ALDH2NOTUMMAP4K4PDE3BPDE3A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3997096-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2024-08-28 | — | — | EP | disclosed |
| US-20220242876-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2022-08-04 | — | — | US | disclosed |
| EP-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | 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-20220242876-A1 | HETEROCYCLIC COMPOUNDS | CYP1B1, CYP1A1, CYP1A2 | ALDH2 2281/4885NOTUM 3635/4885BTK 1521/4885 |
“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.