Bicarbonate

Bicarbonate

SCHEMBL5184161

CCCOC(=O)c1ccccc1OCCC.O=C(O)O

nearest known ligand 0.69

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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
ALDH1A1 P00352 8/20 0.69
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
LMNA P02545 4/20 0.57
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HIF1A Q16665 1/20 0.53
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL2949387 0.97 ALDH1A1 (0.73) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL27881214 0.90 TSHR (0.70) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL11427520 0.89 TSHR (0.73) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL1073658 0.89 ALDH1A1 (0.71) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9969538 0.89 TSHR (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL11329001 0.88 TSHR (0.73) ALDH1A1ADRB2ADRB1ADRB3LMNA
Ammonia Solution, Strong SCHEMBL28026710 0.87 TSHR (0.62) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL11421173 0.86 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL11330763 0.86 ALDH1A1 (0.74) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL975212 0.85 TSHR (0.77) ALDH1A1ADRB2ADRB1ADRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799747-A1 METHOD FOR INCORPORATING ALKYL ESTER ENDGROUPS TO IMPROVE THE RELEASE PROPERTIES OF MELT POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2007-06-27 EP claimed
US-7105626-B2 Method for incorporating alkyl ester endgroups to improve the release properties of melt polycarbonate GENERAL ELECTRIC COMPANY (US) 2006-09-12 US claimed
US-20060074216-A1 Method for incorporating alkyl ester endgroups to improve the release properties of melt polycarbonate SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2006-04-06 US claimed
WO-2006031668-A1 METHOD FOR INCORPORATING ALKYL ESTER ENDGROUPS TO IMPROVE THE RELEASE PROPERTIES OF MELT POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2006-03-23 WO claimed