Bicarbonate

Bicarbonate

SCHEMBL7800899

C=CC(=O)NCC1CO1.O=C(O)O

nearest known ligand 0.45

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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
ALDH1A1 P00352 7/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 5/20 0.42
LMNA P02545 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TGM2 P21980 2/20 0.33
ATM Q13315 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 2/20 0.32
MTNR1A P48039 1/20 0.31
TP53 P04637 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL183843 0.96
SCHEMBL28062140 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1KMT2A
SCHEMBL13945600 0.78 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1KMT2A
SCHEMBL1681822 0.77 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TDP1KMT2A
SCHEMBL368181 0.77 SMN1; SMN2 (0.58) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL14780157 0.76 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1KMT2A
SCHEMBL15753734 0.75 SMN1; SMN2 (0.53) ALDH1A1KMT2AHPGDSMN1; SMN2RAB9A
SCHEMBL3832969 0.74
SCHEMBL3832973 0.74
SCHEMBL16197619 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951496-B1 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA PACIFIC RESINS (US) 2001-12-19 EP disclosed
EP-0951496-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1999-10-27 EP disclosed
WO-1998030596-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1998-07-16 WO disclosed
US-5770750-A Alkyd and aralkyd derivatives of phenolic polymers GEORGIA-PACIFIC RESINS, INC. (US) 1998-06-23 US disclosed