Bicarbonate

Bicarbonate

SCHEMBL11587441

CCCCCCCCCCCCOOCCCCCCCCCCCC.O=C(O)O

nearest known ligand 0.54

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
NAAA Q02083 1/20 0.54
CES2 O00748 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50
KMT2A Q03164 1/20 0.50

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 SCHEMBL11357288 1.00 NAAA (0.54) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL7176348 1.00 NAAA (0.54) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL10454811 1.00 NAAA (0.54) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL302223 1.00 NAAA (0.54) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL6445984 1.00 NAAA (0.54) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL27832806 0.93 NAAA (0.48) NAAACES2GPR84PPARGPPARD
Bicarbonate SCHEMBL1538407 0.89 ALDH1A1 (0.52) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11357290 0.88 NAAA (0.54) NAAACES2GPR84PPARGPPARD
SCHEMBL30203815 0.88 NAAA (0.54) NAAACES2GPR84PPARGPPARD
SCHEMBL302224 0.88 NAAA (0.54) NAAACES2GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4121885-A Method to produce a composite contact lens PRECISION COSMET CO., INC. (US) 1978-10-24 US disclosed
US-4093361-A Composite prosthetic polymeric devices PRECISION COSMET CO., INC. (US) 1978-06-06 US disclosed