Bicarbonate

Bicarbonate

SCHEMBL2443699

NCCNCCN.O=C(O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA6 P23280 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
CA5B Q9Y2D0 5/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
RECQL P46063 2/20 0.67
CA2 P00918 4/20 0.62
CA4 P22748 4/20 0.62
CA5A P35218 4/20 0.62
LMNA P02545 4/20 0.62
CA3 P07451 3/20 0.62
ALOX15 P16050 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
CA1 P00915 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
KDM4E B2RXH2 1/20 0.59

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
Trientine SCHEMBL20639324 0.97 CA12 (0.69) CA12CA6CA7CA9CA14
Bicarbonate SCHEMBL10634656 0.97 CA12 (0.69) CA12CA6CA7CA9CA14
Carbamic Acid SCHEMBL10380516 0.90 CA12 (0.62) CA12CA6CA7CA9CA14
Oxalic Acid SCHEMBL27834960 0.90 CA12 (0.62) CA12CA6CA7CA9CA14
Bicarbonate SCHEMBL7190430 0.89 CA12 (0.53) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL28053728 0.89 CA12 (0.53) CA12CA6CA7CA9CA14
Carbamic Acid SCHEMBL1421167 0.88 CA12 (0.65) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL9100273 0.88 CA12 (0.59) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL863599 0.88 CA12 (0.59) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL3657736 0.88 CA12 (0.59) CA12CA6CA7CA9CA14

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466916-A1 ORGANIC AMINE SALT COMPOUND HAVING ANIONS SERVING AS CO2 DONORS AND APPLICATION OF SAME AS FOAMING AGENT Shandong University Of Technology (CN) 2019-04-10 EP claimed
EP-1645555-B1 A METHOD FOR PRODUCING 4-AMINODIPHENYLAMINE JIANGSU SINORGCHEM TECH CO LTD (CN) 2011-09-28 EP claimed
EP-1591438-B1 A PROCESS FOR PREPARING 4-AMINODIPHENYLAMINE SINORGCHEM CO SHANDONG (CN) 2007-11-21 EP claimed
US-11261153-B2 Organic amine salt compounds having CO2-donating anions and their use as foaming agent SHANDONG UNIVERSITY OF TECHNOLOGY (CN) 2022-03-01 US disclosed
EP-3466916-B1 ORGANIC AMINE SALT COMPOUND HAVING ANIONS SERVING AS CO2 DONORS AND APPLICATION OF SAME AS FOAMING AGENT UNIV SHANDONG TECHNOLOGY (CN) 2021-09-29 EP disclosed
CN-107312192-B Organic alcohol amine salt compound and application thereof as foaming agent 山东理工大学 2020-08-18 CN disclosed
EP-3466916-A1 ORGANIC AMINE SALT COMPOUND HAVING ANIONS SERVING AS CO2 DONORS AND APPLICATION OF SAME AS FOAMING AGENT Shandong University Of Technology (CN) 2019-04-10 EP disclosed
US-20190016673-A1 ORGANIC AMINE SALT COMPOUNDS HAVING CO2-DONATING ANIONS AND THEIR USE AS FOAMING AGENT SHANDONG UNIVERSITY OF TECHNOLOGY (CN) 2019-01-17 US disclosed
EP-0047736-A4 VULCANIZATION SYSTEM FOR THIODIETHANOL-BASED ELASTOMERS. AMERICAN CYANAMID CO (US) 1982-07-19 EP disclosed
EP-0047736-A1 VULCANIZATION SYSTEM FOR THIODIETHANOL-BASED ELASTOMERS AMERICAN CYANAMID COMPANY (US) 1982-03-24 EP disclosed
WO-1981002740-A1 VULCANIZATION SYSTEM FOR THIODIETHANOL-BASED ELASTOMERS AMERICAN CYANAMID CO (US) 1981-10-01 WO disclosed
US-4202963-A Vulcanization system for thiodiethanol-based elastomers AMERICAN CYANAMID COMPANY (US) 1980-05-13 US 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 (2 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-11261153-B2 Organic amine salt compounds having CO2-donating anions and their use as foaming agent PHOSPHO1, METTL14, ALKBH3 CA12 325/4885CA6 1066/4885CA7 110/4885
US-20190016673-A1 ORGANIC AMINE SALT COMPOUNDS HAVING CO2-DONATING ANIONS AND THEIR USE AS FOAMING AGENT PHOSPHO1, METTL14, ALKBH3 CA12 325/4885CA6 1066/4885CA7 110/4885

“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.