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 | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL1526231 | 1.00 | XPO1 (0.39) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765007 | 0.91 | MAPT (0.40) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765009 | 0.91 | MAPT (0.40) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1764995 | 0.87 | MAPT (0.38) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1764993 | 0.87 | MAPT (0.38) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765052 | 0.86 | GPR35 (0.38) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765051 | 0.86 | GPR35 (0.38) | XPO1MAPTLMNANPSR1MEN1 | |
| SCHEMBL12596927 | 0.84 | XPO1 (0.41) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765312 | 0.84 | SMN1; SMN2 (0.39) | XPO1MAPTLMNANPSR1MEN1 | |
| Lithium Ion SCHEMBL1765310 | 0.84 | SMN1; SMN2 (0.39) | XPO1MAPTLMNANPSR1MEN1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9296720-B2 | Carboxamide-substituted heteroaryl-pyrazoles and the use thereof | AICURIS GMBH & CO. KG (DE) | 2016-03-29 | — | — | US | disclosed |
| US-9249148-B2 | Tris(hetero)arylpyrazoles and use thereof | AICURIS GMBH & CO. KG (DE) | 2016-02-02 | — | — | US | disclosed |
| US-20150203500-A1 | TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF | AICURIS GMBH & CO. KG (DE) | 2015-07-23 | — | — | US | disclosed |
| US-20150105388-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | AICURIS GMBH & CO. KG (DE) | 2015-04-16 | — | — | US | disclosed |
| EP-2785705-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | AiCuris GmbH & Co. KG (DE) | 2014-10-08 | — | — | EP | disclosed |
| EP-2254885-B1 | (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES | AICURIS GMBH & CO KG (DE) | 2013-12-04 | — | — | EP | disclosed |
| WO-2013079586-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | AICURIS GMBH & CO. KG (DE) | 2013-06-06 | — | — | WO | disclosed |
| EP-2295038-B1 | Solid dispersion comprising an anti-HIV agent | AICURIS GMBH & CO KG (DE) | 2013-05-29 | — | — | EP | disclosed |
| US-20130072531-A1 | SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT | AICURIS GMBH & CO. KG (DE) | 2013-03-21 | — | — | US | disclosed |
| 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 |
| WO-2011029909-A1 | SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT | AICURIS GMBH & CO. KG (DE) | 2011-03-17 | — | — | WO | disclosed |
| EP-2295038-A1 | Solid dispersion comprising an anti-HIV agent | AiCuris GmbH & Co. KG (DE) | 2011-03-16 | — | — | EP | disclosed |
| WO-2011012630-A1 | SUBSTITUTED BIS-ARYL PYRAZOLE AMIDES HAVING TERMINAL PRIMARY AMIDE FUNCTIONALIZATION FOR TREATING RETROVIRAL DISEASES | AICURIS GMBH & CO. KG (DE) | 2011-02-03 | — | — | WO | 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 (4 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 | XPO1 1005/4885MAPT 2876/4885LMNA 1298/4885 |
| US-20130072531-A1 | SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT | SORD, SUDS3, SUPT16H | XPO1 1388/4885MAPT 58/4885LMNA 3517/4885 |
| US-20150105388-A1 | CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF | PAICS, AADAC, TPMT | XPO1 2231/4885MAPT 3290/4885LMNA 3870/4885 |
| US-20150203500-A1 | TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF | TPMT, AHR, PAICS | XPO1 1859/4885MAPT 1204/4885LMNA 3984/4885 |
“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.