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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
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 SCHEMBL6691575 | 0.95 | CYP2A6 (0.42) | CYP2A6NMT1CA2CA1PLCG1 | |
| SCHEMBL3015881 | 0.95 | CYP2A6 (0.42) | CYP2A6NMT1CA2CA1PLCG1 | |
| Water SCHEMBL3165297 | 0.92 | CYP2A6 (0.40) | CYP2A6NMT1CA2CA1PLCG1 | |
| SCHEMBL11423419 | 0.88 | CYP2A6 (0.36) | CYP2A6NMT1CA2CA1PLCG1 | |
| SCHEMBL11420734 | 0.88 | CYP2A6 (0.36) | CYP2A6NMT1CA2CA1PLCG1 | |
| Lithium Ion SCHEMBL3292255 | 0.74 | LMNA (0.42) | CYP2A6NMT1CA2CA1CES2 | |
| Lithium Ion SCHEMBL6693970 | 0.74 | CA1 (0.37) | CA2CA1MMP1MMP2MMP9 | |
| Lithium Ion SCHEMBL411846 | 0.74 | ALDH1A1 (0.48) | CYP2A6CA2CA1CES2CES1 | |
| SCHEMBL5632523 | 0.73 | CYP2A6 (0.45) | CYP2A6NMT1ALDH1A1TDP1 | |
| SCHEMBL28807753 | 0.72 | CYP2A6 (0.47) | CYP2A6CA2CA1PLCG1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040034257-A1 | Novel sulfone derivatives and process for producing these | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | disclosed |
| EP-1359143-A1 | NOVEL SULFONE DERIVATIVES AND PROCESS FOR PRODUCING THESE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2003-11-05 | — | — | 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-20040034257-A1 | Novel sulfone derivatives and process for producing these | RBP4, ADH4, RARB | CYP2A6 103/4885NMT1 2950/4885CA2 3444/4885 |
“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.