Bicarbonate

Bicarbonate

SCHEMBL315102

CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])[O-]

nearest known ligand 0.50

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
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
TAS2R10 Q9NYW0 1/20 0.50
CYP1A2 P05177 1/20 0.46
ALPL P05186 1/20 0.46
POLB P06746 1/20 0.46
ALPG P10696 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
AKR1B1 P15121 1/20 0.40
HDAC3 O15379 1/20 0.40

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
Bicarbonate SCHEMBL7442433 0.96 MEN1 (0.48) LMNAMEN1CYP2D6TSHRKMT2A
Bicarbonate SCHEMBL315104 0.96 LMNA (0.50) LMNAMEN1CYP2D6TSHRKMT2A
Acetic Acid SCHEMBL306020 0.94 LMNA (0.49) LMNAMEN1CYP2D6TSHRKMT2A
Oxalic Acid SCHEMBL1050278 0.94 LMNA (0.49) LMNAMEN1CYP2D6TSHRKMT2A
Bicarbonate SCHEMBL28141095 0.92 LMNA (0.48) LMNAMEN1CYP2D6TSHRKMT2A
Oxalic Acid SCHEMBL1050280 0.92 LMNA (0.48) LMNAMEN1CYP2D6TSHRKMT2A
Bicarbonate SCHEMBL315103 0.92 CYP1A2 (0.49) LMNAMEN1CYP2D6TSHRKMT2A
Malonic Acid SCHEMBL3957236 0.91 CYP2D6 (0.50) LMNAMEN1CYP2D6TSHRKMT2A
Pyruvate SCHEMBL7965464 0.91 LMNA (0.47) LMNAMEN1CYP2D6TSHRKMT2A
Oxalic Acid SCHEMBL27769827 0.91 MEN1 (0.47) LMNAMEN1CYP2D6TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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 (1 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX LMNA 4241/4885MEN1 4667/4885CYP2D6 54/4885

“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.