Bicarbonate

Bicarbonate

SCHEMBL28364704

CCCc1cccc(-c2ccccc2)c1CCC.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
FOLH1 Q04609 3/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PPARA Q07869 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
JUN P05412 1/20 0.40
SOAT1 P35610 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.39
PPARG P37231 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 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
SCHEMBL6139588 0.93 PDCD1 (0.47) FOLH1PDCD1CD274PPARAKMT2A
Formamide SCHEMBL12497386 0.87 FOLH1 (0.41) FOLH1PDCD1CD274PPARAKMT2A
Bicarbonate SCHEMBL1835067 0.86 PPARA (0.56) FOLH1PDCD1CD274PPARAKMT2A
SCHEMBL25171586 0.83 FOLH1 (0.71) FOLH1PDCD1CD274PPARAKMT2A
Bicarbonate SCHEMBL17473045 0.83 FOLH1 (0.46) FOLH1PDCD1CD274PPARAKMT2A
Bicarbonate SCHEMBL1836587 0.83 PPARA (0.50) FOLH1PDCD1CD274PPARAKMT2A
SCHEMBL29137601 0.82 ALDH1A1 (0.45) FOLH1PDCD1CD274LTB4RLTB4R2
Bicarbonate SCHEMBL28365018 0.81 FOLH1 (0.50) FOLH1PDCD1CD274PPARAKMT2A
SCHEMBL1840930 0.80 LTB4R (0.46) FOLH1PPARAPTGER1PTGER4PTGER3
SCHEMBL8674511 0.80 ELANE (0.38) PDCD1CD274PPARALTB4RLTB4R2

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
CN-118354903-A Skin material 日产自动车株式会社 2024-07-16 CN disclosed
CN-117480225-A Coating agent and spring 日本发条株式会社 2024-01-30 CN disclosed
CN-106515000-B Method for producing three-dimensional shaped object and support material for three-dimensional shaping 富士施乐株式会社 2021-05-07 CN disclosed
CN-106336483-B Three-dimensional modeling material, support material for three-dimensional modeling, and composition set for three-dimensional modeling 富士施乐株式会社 2021-02-02 CN disclosed
CN-105820552-B Support material for three-dimensional molding, composition set for three-dimensional molding, three-dimensional molding apparatus, and method for producing three-dimensional molded body 富士施乐株式会社 2020-02-11 CN disclosed