Bicarbonate

Bicarbonate

SCHEMBL5227

O=C(O)O.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9790 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHSD11B1TSHRCA12
SCHEMBL2417 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHSD11B1TSHRCA12
SCHEMBL2229127 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHSD11B1TSHRCA12
Acetic Acid SCHEMBL1802264 0.92 TERT (0.41) ALDH1A1KDM4EHSD11B1TSHRCA12
SCHEMBL21752841 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
SCHEMBL21752879 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
Sulfuric Acid SCHEMBL6545396 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
SCHEMBL21752846 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
SCHEMBL21752843 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1
SCHEMBL3365751 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD11B1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118140873-A Diabetes animal model and construction method and application thereof 刘丽梅 2024-06-07 CN disclosed
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-06-06 US disclosed
CN-118048293-A Vascularized islet organoid and construction method and application thereof 上海交通大学医学院附属第九人民医院 2024-05-17 CN disclosed
CN-117904238-A Fructus cannabis enzymatic hydrolysate and preparation method thereof 清华大学深圳国际研究生院 2024-04-19 CN disclosed
CN-117899193-A Fructus cannabis enzymatic hydrolysate and preparation method thereof 清华大学深圳国际研究生院 2024-04-19 CN disclosed
CN-117899141-A Fructus cannabis enzymatic hydrolysate and preparation method thereof 清华大学深圳国际研究生院 2024-04-19 CN disclosed
CN-117903243-A Fructus cannabis extract polypeptide and application thereof 清华大学深圳国际研究生院 2024-04-19 CN disclosed
US-20240115564-A1 HTR1F ANTAGONISTS FOR IMPROVEMENT OF BETA CELL SURVIVAL AND FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-11 US disclosed
WO-2024059954-A1 THIOL-ENE HYDROGEL ALLARTA LIFE SCIENCE INC. (CA) 2024-03-28 WO disclosed
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
US-20020137141-A1 Short peptides from the 'A-region' of protein kinases which selectively modulate protein kinase activity CHILDREN'S MEDICAL CENTER CORPORATION (US) 2002-09-26 US disclosed
US-20020115173-A1 Short peptides from the 'A-region' of protein kinases which selectively modulate protein kinase activity CHILDREN'S MEDICAL CENTER CORPORATION 2002-08-22 US disclosed
WO-2002048336-A2 SHORT PEPTIDES FROM THE 'A-REGION' OF PROTEIN KINASES WHICH SELECTIVELY MODULATE PROTEIN KINASE ACTIVITY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2002-06-20 WO disclosed
EP-1115847-A1 SHORT PEPTIDES WHICH SELECTIVELY MODULATE THE ACTIVITY OF PROTEIN KINASES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2001-07-18 EP disclosed
WO-2000018895-A1 SHORT PEPTIDES WHICH SELECTIVELY MODULATE THE ACTIVITY OF PROTEIN KINASES THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-04-06 WO disclosed
US-5569581-A Alteration and prediction of male fertility using seminal plasma and its components THE PENN STATE RESEARCH FOUNDATION (US) 1996-10-29 US disclosed
EP-0682702-A1 EXPRESSION OF PROTECTIVE ANTIGENS Mallinckrodt Veterinary, Inc. (US) 1995-11-22 EP disclosed
WO-1994018320-A1 EXPRESSION OF PROTECTIVE ANTIGENS MALLINCKRODT VETERINARY, INC. (US) 1994-08-18 WO disclosed
US-5030637-A Against senile macular degeneration or diabetic retinopathy REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1991-07-09 US disclosed
US-4971976-A DIABETIC RETINOPATHY, VISION DEFECTS, PEROXIDATION INHIBITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-11-20 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-20240115564-A1 HTR1F ANTAGONISTS FOR IMPROVEMENT OF BETA CELL SURVIVAL AND FUNCTION HTR1F, HTR1D, HTR1E ALDH1A1 1175/4885KDM4E 3491/4885HSD11B1 1111/4885
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 ALDH1A1 3523/4885KDM4E 4186/4885HSD11B1 4852/4885

“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.