Bicarbonate

Bicarbonate

SCHEMBL3387529

CC(N)CCN.O=C(O)O

nearest known ligand 0.56

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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 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
GABRR1 P24046 2/20 0.56
SLC7A5 Q01650 2/20 0.43
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 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
Acetic Acid SCHEMBL8634071 0.92 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL60727 0.85
SCHEMBL6687775 0.85
SCHEMBL9420958 0.85 ALDH1A1 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14498560 0.85
Bicarbonate SCHEMBL7084977 0.84 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL1839190 0.82
SCHEMBL29415522 0.82
Hydrochloric Acid SCHEMBL28145906 0.82
SCHEMBL11627934 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456267-A1 AQUEOUS POLYURETHANE DISPERSIONS OBTAINED BY THE USE OF CAESIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2004-09-15 EP claimed
WO-2004003045-A1 AQUEOUS POLYURETHANE DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2004-01-08 WO claimed
WO-2003050156-A1 AQUEOUS POLYURETHANE DISPERSIONS OBTAINED BY THE USE OF CAESIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2003-06-19 WO claimed
EP-3390481-B1 AQUEOUS POLYMER DISPERSION FOR ADHESIVE COMPOUNDS BASF SE (DE) 2020-05-13 EP disclosed
EP-3390481-A1 AQUEOUS POLYMER DISPERSION FOR ADHESIVE COMPOUNDS BASF SE (DE) 2018-10-24 EP disclosed
WO-2017102777-A1 AQUEOUS POLYMER DISPERSION FOR ADHESIVE COMPOUNDS BASF SE (DE) 2017-06-22 WO disclosed
EP-1373350-B1 USE OF ANIONIC POLYMERS THAT CARRY URETHANE AND/OR UREA GROUPS FOR MODIFYING SURFACES BASF SE (DE) 2010-12-15 EP disclosed
EP-1427863-A1 LEATHER SEASONING AGENT BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
EP-1373350-A1 USE OF ANIONIC POLYMERS THAT CARRY URETHANE AND/OR UREA GROUPS FOR MODIFYING SURFACES BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2003023071-A1 LEATHER SEASONING AGENT BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 WO disclosed
WO-2002070578-A1 USE OF ANIONIC POLYMERS THAT CARRY URETHANE AND/OR UREA GROUPS FOR MODIFYING SURFACES BASF AKTIENGESELLSCHFT (DE) 2002-09-12 WO disclosed