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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIPK2 | Q9H2X6 | 8/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 7/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1000985 | 0.82 | CDH1 (0.49) | HPGD | |
| SCHEMBL997513 | 0.82 | HPGD (0.41) | HPGDDOT1LNMT1MGLL | |
| Lithium SCHEMBL1680729 | 0.81 | CDH1 (0.47) | HPGD | |
| SCHEMBL29371543 | 0.81 | CYP2A6 (0.49) | HPGDDOT1LNMT1 | |
| Hydrochloric Acid SCHEMBL997515 | 0.81 | CDH1 (0.47) | HPGD | |
| SCHEMBL3717520 | 0.81 | CYP2A6 (0.49) | HPGDDOT1LNMT1 | |
| SCHEMBL1680727 | 0.81 | CDH1 (0.47) | HPGD | |
| Potassium Ion SCHEMBL3231217 | 0.79 | PLAU (0.52) | HIPK2 | |
| SCHEMBL30718742 | 0.77 | HTT (0.59) | CSNK2A1CA1CA2HPGD | |
| SCHEMBL1535334 | 0.77 | HTT (0.59) | CSNK2A1CA1CA2HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | 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 (3 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | HIPK2 3839/4885CSNK2A1 3389/4885CA1 4228/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | HIPK2 2969/4885CSNK2A1 3356/4885CA1 3740/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | HIPK2 3759/4885CSNK2A1 3390/4885CA1 4114/4885 |
“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.