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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.35 |
| ▸ | GABRE | P78334 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL30664846 | 0.80 | IKBKB (0.46) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL392559 | 0.80 | IKBKB (0.46) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL393852 | 0.80 | GABRP (0.50) | KDM4ETDP1GABRPGABRDGABRA1 | |
| SCHEMBL20657822 | 0.78 | GABRP (0.40) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL31139883 | 0.78 | GABRP (0.40) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL631872 | 0.78 | GABRP (0.48) | KDM4ETDP1GABRPGABRDGABRA1 | |
| SCHEMBL3060350 | 0.74 | SCN10A (0.41) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL510468 | 0.74 | ABL1 (0.53) | KDM4ECA1CA2ALDH1A1HPGD | |
| Potassium Ion SCHEMBL20565973 | 0.73 | KDM4E (0.39) | KDM4EPOLBTDP1GABRPGABRD | |
| SCHEMBL21397494 | 0.71 | IDO1 (0.35) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1848710-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-1858888-B1 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-04-17 | — | — | EP | disclosed |
| US-8207170-B2 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2012-06-26 | — | — | US | disclosed |
| EP-1858895-B1 | PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-1937666-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2012-02-22 | — | — | EP | disclosed |
| EP-1853583-B1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-09-07 | — | — | EP | disclosed |
| EP-1853587-B1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-08-03 | — | — | EP | disclosed |
| US-20110065651-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2011-03-17 | — | — | US | disclosed |
| US-7879838-B2 | Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors | SCHERING CORPORATION (US) | 2011-02-01 | — | — | US | disclosed |
| US-7868006-B2 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2011-01-11 | — | — | US | disclosed |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060276457-A1 | Piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | Schering Corporation and | 2006-12-07 | — | — | US | disclosed |
| US-20060276479-A1 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | Schering Corporation and | 2006-12-07 | — | — | US | disclosed |
| US-20060217392-A1 | Novel heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity | Schering Corporation and | 2006-09-28 | — | — | US | disclosed |
| WO-2006091428-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-31 | — | — | WO | disclosed |
| WO-2006088920-A1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088840-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088836-A2 | PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088837-A2 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | 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 (6 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-20060217392-A1 | Novel heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity | CXCR3, CXCR1, ACKR3 | KDM4E 3907/4885POLB 2945/4885TDP1 2804/4885 |
| US-20060276479-A1 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | CXCR3, CXCR1, CCR5 | KDM4E 2722/4885POLB 2475/4885TDP1 2790/4885 |
| US-20110065651-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | CXCR3, CXCR1, CCR5 | KDM4E 2722/4885POLB 2475/4885TDP1 2790/4885 |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | CCR1, CCR5, FFAR1 | KDM4E 2495/4885POLB 2647/4885TDP1 2068/4885 |
| US-20060276457-A1 | Piperazine-piperidines with CXCR3 antagonist activity | CXCR3, CCR5, CXCR1 | KDM4E 2542/4885POLB 2390/4885TDP1 2889/4885 |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | CXCR3, CCR5, CXCR1 | KDM4E 3373/4885POLB 2384/4885TDP1 2821/4885 |
“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.