Bicarbonate

Bicarbonate

SCHEMBL28034606

C=CC[N+](C)(C)CC=C.C=CC[N+](C)(C)CC=C.C=CN.O=C([O-])[O-]

nearest known ligand 0.55

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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 7)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.55
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32

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 SCHEMBL2512299 0.93 BBOX1 (0.61) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL5911592 0.88 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL2704202 0.86 BBOX1 (0.59) BBOX1KMT2AATMBCHEACHE
Acetic Acid SCHEMBL1056731 0.86 BBOX1 (0.59) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL2836768 0.84 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL2526435 0.84 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Hydrochloric Acid SCHEMBL28273648 0.83 BBOX1 (0.39) BBOX1KMT2AATMACHEALDH1A1
Succinic Acid SCHEMBL28710003 0.82 BBOX1 (0.71) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL11323113 0.82 BBOX1 (0.55) BBOX1KMT2AATMBCHEACHE
Acrylic Acid SCHEMBL578283 0.82 BBOX1 (0.55) BBOX1KMT2AATMBCHEACHE

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
CN-104857867-B CO2 separating membrane having both primary amine and carbonate and preparation method thereof 天津大学 2017-04-26 CN disclosed
CN-104857867-A Carbon dioxide separating membrane having both primary amine and carbonate and preparation method thereof UNIV TIANJIN 2015-08-26 CN disclosed