Bicarbonate

Bicarbonate

SCHEMBL9320107

Cc1ncc(CN)c(N)n1.O=C(O)O

nearest known ligand 0.54

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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 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TKT P29401 5/20 0.43
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 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
SCHEMBL478879 0.91 LMNA (0.63) LMNAALDH1A1CYP1A2TSHRTKT
SCHEMBL29895545 0.91 LMNA (0.63) LMNAALDH1A1CYP1A2TSHRTKT
Hydrogen Sulfide SCHEMBL28870746 0.89 LMNA (0.61) LMNAALDH1A1CYP1A2TSHRTKT
Hydrochloric Acid SCHEMBL479404 0.89 LMNA (0.61) LMNAALDH1A1CYP1A2TSHRTKT
SCHEMBL4112287 0.82 LMNA (0.54) LMNANFKB1BLMPMP22ALDH1A1
SCHEMBL15534393 0.79 LMNA (0.59) LMNANFKB1BLMPMP22ALDH1A1
SCHEMBL12346332 0.79 LMNA (0.63) LMNAALDH1A1CYP1A2TSHRTKT
SCHEMBL28002533 0.79 LMNA (0.54) LMNANFKB1BLMPMP22ALDH1A1
SCHEMBL479344 0.77 LMNA (0.61) LMNAALDH1A1TKTKDM4EHSP90AA1
SCHEMBL1158072 0.77 LMNA (0.49) LMNANFKB1BLMPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290888-B1 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES (JP) 1994-01-26 EP claimed
US-5037982-A Salt formation with carbon dioxide, heating to recover pure form with solvent UBE INDUSTRIES, LTD. (JP) 1991-08-06 US claimed
US-4892948-A 2-methyl-4-amino-5-aminomethylpyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1990-01-09 US claimed
EP-0290888-A2 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1988-11-17 EP claimed
JP-63284164-A None JP disclosed
EP-0290888-B1 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES (JP) 1994-01-26 EP disclosed
EP-0290888-B1 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES (JP) 1994-01-26 EP disclosed
US-5037982-A Salt formation with carbon dioxide, heating to recover pure form with solvent UBE INDUSTRIES, LTD. (JP) 1991-08-06 US disclosed
US-4892948-A 2-methyl-4-amino-5-aminomethylpyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
US-4892948-A 2-methyl-4-amino-5-aminomethylpyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
US-4892948-A 2-methyl-4-amino-5-aminomethylpyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
JP-S63284164-A 2-METHYL-4-AMINO-5-AMINOMETHYLPYRIMIDINE CARBONATE AND ITS PRODUCTION UBE IND LTD 1988-11-21 JP disclosed
EP-0290888-A2 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1988-11-17 EP disclosed
EP-0290888-A2 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1988-11-17 EP disclosed
EP-0290888-A2 2-Methyl-4-amino-5-aminomethyl-pyrimidine carbonate, process for preparing the same and method of purification of 2-methyl-4-amino-5-aminomethylpyrimidine using the same UBE INDUSTRIES, LTD. (JP) 1988-11-17 EP disclosed
EP-0280938-A1 Antioxidant aromatic fluorophosphites ALBEMARLE CORPORATION (US) 1988-09-07 EP disclosed