Bicarbonate

Bicarbonate

SCHEMBL11620060

COC1CNCCN1c1ccccc1.O=C(O)O

nearest known ligand 0.49

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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 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
ADRB1 P08588 3/20 0.46
OPRD1 P41143 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HTR2C P28335 9/20 0.39
HTR2B P41595 8/20 0.39
HTR2A P28223 7/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRPF1 P55201 1/20 0.38

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
SCHEMBL644545 0.94 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
Bromide SCHEMBL27797303 0.92 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL5793498 0.92 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL16731889 0.79 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3ADRB1OPRD1
SCHEMBL27865382 0.79 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL21360310 0.79 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3ADRB1OPRD1
SCHEMBL5506036 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL2721007 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL14896054 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL15974677 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1

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-4067982-A LOWERING BLOOD PRESSURE, ANALGESIC, SEDATIVE, ANTIHISTAMINE Gulden, Byk (DT) 1978-01-10 US disclosed
US-3957786-A HYPOTENSIVE AGENTS BYK GULDEN (DT) 1976-05-18 US disclosed