Bicarbonate

Bicarbonate

SCHEMBL4935534

CCCCCCCCCCCCN=C(C)N(C)C.O=C(O)O

nearest known ligand 0.45

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
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CES2 O00748 4/20 0.40
CES1 P23141 3/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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 SCHEMBL4936724 1.00 MEN1 (0.45) MEN1KMT2ACES2CES1GPR84
Bicarbonate SCHEMBL4938106 1.00 MEN1 (0.45) MEN1KMT2ACES2CES1GPR84
Bicarbonate SCHEMBL4931887 1.00 MEN1 (0.45) MEN1KMT2ACES2CES1GPR84
Bicarbonate SCHEMBL4935530 0.92 ALDH1A1 (0.40) MEN1KMT2ACES2CES1GPR84
SCHEMBL21523295 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR
SCHEMBL21523293 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR
SCHEMBL4934095 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR
SCHEMBL20718552 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR
SCHEMBL4931847 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR
SCHEMBL4938498 0.92 MEN1 (0.52) MEN1KMT2ACES2CES1TSHR

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-20130087072-A1 Reversibly Switchable Surfactants and Methods of Use Thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-04-11 US disclosed
US-8283385-B2 Emulsion polymerization; oil industry QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-10-09 US disclosed
US-20080197084-A1 Reversibly switchable surfactants and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-08-21 US disclosed
EP-1957434-A1 REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-08-20 EP disclosed
WO-2007056859-A1 REVERSIBLY SWITCHABLE SURFACTANTS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-05-24 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 (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-20080197084-A1 Reversibly switchable surfactants and methods of use thereof SGMS1, SGMS2, HDHD5 MEN1 3941/4885KMT2A 3368/4885CES2 337/4885

“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.