Bicarbonate

Bicarbonate

SCHEMBL6217318

CCC(C)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(OC)cc2)CC1)c1ccccc1.O=C(O)O

nearest known ligand 0.47

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
▸ POLB P06746 1/20 0.47
▸ MTTP P55157 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MTR Q99707 1/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ CCR3 P51677 1/20 0.44
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL6217670 0.92 POLB (0.47) POLBMTTPDRD4CHRM2ADRA2A
Bicarbonate SCHEMBL7564901 0.91 POLB (0.48) POLBDRD4ADRA2ACHRM1DRD1
SCHEMBL7237786 0.91 POLB (0.46) POLBMTTPDRD4CHRM2ADRA2A
Bicarbonate SCHEMBL6217672 0.91 POLB (0.49) POLBMTTPDRD4CHRM2ADRA2A
Bicarbonate SCHEMBL6219348 0.91 MTTP (0.48) POLBMTTPDRD4CHRM2ADRA2A
Bicarbonate SCHEMBL6219363 0.90 MTTP (0.47) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7235574 0.90 HTR7 (0.45) POLBMTTPDRD4CHRM2ADRA2A
SCHEMBL7241401 0.90 POLB (0.45) POLBMTTPDRD4CHRM2ADRA2A
Bicarbonate SCHEMBL6216666 0.89 MTTP (0.58) MTTPDRD4CHRM2ADRA2AADORA3
SCHEMBL7232871 0.88 POLB (0.46) POLBMTTPDRD4CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202969-B1 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-09 — — EP disclosed
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