Bicarbonate

Bicarbonate

SCHEMBL8518325

CCCCC(=Cc1ccccc1)C(C)=O.O=C(O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

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 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CES1 P23141 4/20 0.49
CES2 O00748 3/20 0.49
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
PPARG P37231 1/20 0.47
AKR1C3 P42330 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EGFR P00533 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL2941326 0.98 RECQL (0.62) RECQLLMNATDP1CES1CES2
SCHEMBL1375933 0.98 RECQL (0.62) RECQLLMNATDP1CES1CES2
Oxalic Acid SCHEMBL10792364 0.95 RECQL (0.58) RECQLLMNATDP1CES1CES2
SCHEMBL2946253 0.93 RECQL (0.60) RECQLLMNATDP1CES1CES2
SCHEMBL2946252 0.93 RECQL (0.60) RECQLLMNATDP1CES1CES2
SCHEMBL2941701 0.92 TDP1 (0.60) RECQLLMNATDP1CES1CES2
SCHEMBL2941695 0.92 TDP1 (0.60) RECQLLMNATDP1CES1CES2
SCHEMBL1535093 0.90 TDP1 (0.59) RECQLLMNATDP1CES1CES2
SCHEMBL3146136 0.88 RECQL (0.66) RECQLLMNATDP1CES1CES2
SCHEMBL3146140 0.88 RECQL (0.66) RECQLLMNATDP1CES1CES2

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-5868261-A Anti-slamming latch apparatus for modular component installations DIGITAL EQUIPMENT CORPORATION (US) 1999-02-09 US disclosed
EP-0843510-A2 Anti-slamming latching apparatus for modular component installations DIGITAL EQUIPMENT CORPORATION (US) 1998-05-20 EP disclosed