Lithium Ion

Lithium Ion

SCHEMBL987070

O=C([O-])CCc1cccnc1.[Li+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.58
NAPRT Q6XQN6 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
CHRNA7 P36544 1/20 0.52
NAMPT P43490 1/20 0.50
CYP2A6 P11509 1/20 0.49
ESR1 P03372 1/20 0.48
CYP19A1 P11511 1/20 0.48
MAPT P10636 1/20 0.47
FDPS P14324 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
Potassium Ion SCHEMBL27486991 0.96 TBXAS1 (0.58) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Lithium Ion SCHEMBL986768 0.83 NAPRT (0.69) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL27939457 0.83 TBXAS1 (0.64) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL7669273 0.82 TBXAS1 (0.63) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL29403620 0.81 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL333061 0.81 TBXAS1 (0.78) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL4200852 0.81 TBXAS1 (0.57) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL83186 0.80 RECQL (0.62) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL305976 0.80 TBXAS1 (0.79) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL868044 0.80 TBXAS1 (0.60) TBXAS1NAPRTCYP1A2CYP3A4CYP2C9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428660-B Process for producing acetic acid 国际人造丝公司 2022-02-15 CN disclosed
CN-107207392-B Process for producing acetic acid 国际人造丝公司 2021-06-08 CN disclosed
CN-108349865-B Process for producing acetic acid 国际人造丝公司 2021-05-11 CN disclosed
CN-107207391-B Process for producing acetic acid 国际人造丝公司 2020-11-06 CN disclosed
EP-3277654-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2020-08-12 EP disclosed
EP-3374342-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2020-07-08 EP disclosed
EP-3250545-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2019-06-26 EP disclosed
EP-3374342-A1 PROCESSES FOR PRODUCING ACETIC ACID Celanese International Corporation (US) 2018-09-19 EP disclosed
US-9957216-B2 Processes for producing acetic acid CELANESE INTERNATIONAL CORPORATION (US) 2018-05-01 US disclosed
EP-3277654-A1 PROCESSES FOR PRODUCING ACETIC ACID Celanese International Corporation (US) 2018-02-07 EP disclosed
US-8455685-B2 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION (US) 2013-06-04 US disclosed
US-20130102809-A1 Methanol Carbonylation Process with Rhodium Catalyst, an Iodide Salt and a Metallic Co-Catalyst Selected from Transition Metals, Indium, Strontium, Barium, Zinc, Tin and Heteropoly Acids CELANESE INTERNATIONAL CORPORATION (US) 2013-04-25 US disclosed
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst CELANESE INTERNATIONAL CORPORATION (US) 2013-04-25 US disclosed
US-20120183450-A1 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING SCATES MARK O (US) 2012-07-19 US disclosed
EP-2451766-A2 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING Celanese International Corporation (US) 2012-05-16 EP disclosed
US-8168822-B2 Acetic acid production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION (US) 2012-05-01 US disclosed
WO-2011159268-A1 CARBONYLATION PROCESS CELANESE INTERNALTIONAL CORPORATION (US) 2011-12-22 WO disclosed
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION 2011-01-27 US disclosed
US-20110009665-A1 Acetic acid production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION 2011-01-13 US disclosed
WO-2011005304-A2 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING CELANESE INTERNATIONAL CORPORATION (US) 2011-01-13 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009665-A1 Acetic acid production by way of carbonylation with enhanced reaction and flashing DNMT1, SP1, ME1 TBXAS1 2880/4885NAPRT 4001/4885CYP1A2 381/4885
US-20130102809-A1 Methanol Carbonylation Process with Rhodium Catalyst, an Iodide Salt and a Metallic Co-Catalyst Selected from Transition Metals, Indium, Strontium, Barium, Zinc, Tin and Heteropoly Acids CCNY, CA9, CA3 TBXAS1 3836/4885NAPRT 3524/4885CYP1A2 637/4885
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CA3, CA4, CA2 TBXAS1 2523/4885NAPRT 4568/4885CYP1A2 559/4885
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst ME1, MLYCD, SP1 TBXAS1 4494/4885NAPRT 4336/4885CYP1A2 814/4885

“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.