Bicarbonate

Bicarbonate

SCHEMBL9058396

COc1ccc(CCC(=O)N(C2CCCCC2)N2CCN(C3CCNCC3)CC2)cc1.Cl.Cl.Cl.O=C(O)O

nearest known ligand 0.55

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
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.46
RPLP1 P05386 2/20 0.42
RPLP0 P05388 2/20 0.42
RPS17 P08708 2/20 0.42
RPSA P08865 2/20 0.42
RPS2 P15880 2/20 0.42
RPL35A P18077 2/20 0.42
RPL7 P18124 2/20 0.42
RPL17 P18621 2/20 0.42
RPS4Y1 P22090 2/20 0.42
RPS3 P23396 2/20 0.42
RPS12 P25398 2/20 0.42
RPL13 P26373 2/20 0.42
RPL10 P27635 2/20 0.42
RPL12 P30050 2/20 0.42
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.42
RPL22 P35268 2/20 0.42

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
Hydrochloric Acid SCHEMBL8481469 0.73 ALDH1A1 (0.48) ALDH1A1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL4384079 0.72 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRKDM4EGAA
Hydrochloric Acid SCHEMBL27486050 0.72 HRH3 (0.32) KCNH2HRH3SIGMAR1
SCHEMBL8479879 0.72 ALDH1A1 (0.48) ALDH1A1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL4383272 0.70 ALDH1A1 (0.98) ALDH1A1KMT2ATSHRKDM4EGAA
Hydrochloric Acid SCHEMBL8484742 0.69 ALDH1A1 (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2CYP1A2
SCHEMBL4912849 0.68 ALOX5 (0.52) ALDH1A1TRPM8RPLP1RPLP0RPS17
Hydrochloric Acid SCHEMBL4379167 0.68 ALDH1A1 (0.83) ALDH1A1KMT2ATSHRKDM4EGAA
SCHEMBL4379159 0.68 ALDH1A1 (0.87) ALDH1A1KMT2ATSHRKDM4EGAA
Hydrochloric Acid SCHEMBL8482208 0.67 MBTPS1 (0.43) KMT2AKDM4ESIGMAR1CCR3MEN1

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
WO-1996020173-A1 PIPERAZINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME, THEIR USE AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1996-07-04 WO disclosed