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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 5/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPD | P32754 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
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 SCHEMBL1765502 | 1.00 | MAOB (0.55) | MAOBNR4A2PTPN1SMPD1NR1H4 | |
| SCHEMBL12596970 | 0.87 | MAOB (0.59) | MAOBNR4A2PTPN1SMPD1NR1H4 | |
| SCHEMBL1765505 | 0.86 | MAOB (0.57) | MAOBNR4A2PTPN1SMPD1NR1H4 | |
| Lithium Ion SCHEMBL1765508 | 0.83 | CES2 (0.48) | ALDH1A1MEN1KMT2ATP53NFKB1 | |
| Lithium Ion SCHEMBL1765506 | 0.83 | CES2 (0.48) | ALDH1A1MEN1KMT2ATP53NFKB1 | |
| SCHEMBL17978704 | 0.81 | MAOB (0.66) | MAOBNR4A2PTPN1SMPD1NR1H4 | |
| Lithium Ion SCHEMBL1765062 | 0.80 | ELANE (0.41) | MAOBMRGPRX4 | |
| Lithium Ion SCHEMBL1110941 | 0.80 | ELANE (0.41) | MAOBMRGPRX4 | |
| Lithium Ion SCHEMBL1765064 | 0.80 | ELANE (0.41) | MAOBMRGPRX4 | |
| SCHEMBL70333 | 0.79 | PTPN1 (0.73) | MAOBNR4A2PTPN1SMPD1NR1H4 |
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-8399682-B2 | Substituted (pyrazolylcarbonyl)imidazolidinones and their use | AICURIS GMBH & CO. KG (DE) | 2013-03-19 | — | — | US | disclosed |
| US-20110124618-A1 | SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE | AICURIS GMBH & CO. KG (DE) | 2011-05-26 | — | — | US | disclosed |
| EP-2254885-A1 | (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES | AiCuris GmbH & Co. KG (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009115213-A1 | (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES | AICURIS GMBH & CO. KG (DE) | 2009-09-24 | — | — | 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-20110124618-A1 | SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE | TPMT, PAICS, THPO | MAOB 1582/4885NR4A2 2441/4885PTPN1 2140/4885 |
“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.