Bicarbonate

Bicarbonate

SCHEMBL5324435

CC(C)=C1C=CCC2=C1c1ccccc12.O=C(O)O

nearest known ligand 0.33

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 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR1 P11362 4/20 0.32
FGFR2 P21802 4/20 0.32
FGFR4 P22455 4/20 0.32
FGFR3 P22607 4/20 0.32
SRC P12931 2/20 0.31
NOTUM Q6P988 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
Carbamic Acid SCHEMBL14813023 0.75 FGFR1 (0.36) HSD17B10MAPTFGFR1FGFR2FGFR4
Bicarbonate SCHEMBL27878739 0.75 ALDH1A1 (0.38) HSP90AA1HSP90AB1ALDH1A1FGFR1FGFR2
SCHEMBL737866 0.72 MAOA (0.41) HSD17B10NPC1RAB9AALDH1A1MAOA
SCHEMBL19188983 0.71 ALDH1A1 (0.39) NPC1RAB9AALDH1A1MAOANOTUM
Formaldehyde SCHEMBL27547732 0.69 MAOA (0.38) HSD17B10NPC1RAB9AALDH1A1MAOA
SCHEMBL5393525 0.68
SCHEMBL7003679 0.66 MEN1 (0.46) HSD17B10NPC1RAB9AALDH1A1MAOA
SCHEMBL27910961 0.66 ALDH1A1 (0.38) ALDH1A1
Acetic Acid SCHEMBL7042249 0.63 MAOA (0.40) HSP90AA1HSP90AB1NPC1RAB9AALDH1A1
Acetic Acid SCHEMBL11385294 0.62 CES2 (0.50) HSP90AA1HSP90AB1NAPRTHSD17B10NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868653-A2 HMGCOA REDUCTASE INHIBITOR CODRUGS AND USES THEREOF PSivida Inc. (US) 2007-12-26 EP disclosed
EP-1811958-A2 REMOVAL OF IMPURITIES WITH SUPERCRITICAL FLUIDS FROM OCULAR DRUG DELIVERY DEVICES DURING MANUFACTURING Bausch & Lomb Incorporated (US) 2007-08-01 EP disclosed
EP-1761283-A2 BIODEGRADABLE DRUG-POLYMER DELIVERY SYSTEM CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-03-14 EP disclosed
WO-2007002183-A2 DRUG DELIVERY DEVICE FOR IMPLANTING IN THE EYE COMPRISING A DRUG CORE AND A PREFORMED PERMEABLE CRYSTALLINE POLYMERIC DISC BAUSCH & LOMB INCORPORATED (US) 2007-01-04 WO disclosed
WO-2006110882-A2 HMGCOA REDUCTASE INHIBITOR CODRUGS AND USES THEREOF PSIVIDA INC. (US) 2006-10-19 WO disclosed
EP-1699393-A2 DRUG DELIVERY DEVICE WITH MECHANICAL LOCKING MECHANISM Bausch & Lomb Incorporated (US) 2006-09-13 EP disclosed
EP-1699392-A2 DRUG DELIVERY DEVICE Bausch & Lomb Incorporated (US) 2006-09-13 EP disclosed
EP-1696880-A2 DRUG DELIVERY DEVICE WITH SUTURE RING Bausch & Lomb Surgical, Inc. (US) 2006-09-06 EP disclosed
EP-1696879-A2 DRUG DELIVERY DEVICE BAUSCH & LOMB INCORPORATED (US) 2006-09-06 EP disclosed
WO-2006068950-A2 DRUG DELIVERY DEVICE COMPRISING CROSSLINKED POLYURETHANE-SILOXANE-CONTAINING COPOLYMERS BAUSCH & LOMB INCORPORATED (US) 2006-06-29 WO disclosed
WO-2005120578-A2 BIODEGRADABLE DRUG-POLYMER DELIVERY SYSTEM CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-12-22 WO disclosed
WO-2005065642-A2 DRUG DELIVERY DEVICE BAUSCH & LOMB INCORPORATED (US) 2005-07-21 WO disclosed
WO-2005065602-A2 DRUG DELIVERY DEVICE WITH MECHANICAL LOCKING MECHANISM BAUSCH & LOMB INCORPORATED (US) 2005-07-21 WO disclosed
WO-2005065601-A2 DRUG DELIVERY DEVICE BAUSCH & LOMB INCORPORATED (US) 2005-07-21 WO disclosed
WO-2005065644-A2 DRUG DELIVERY DEVICE WITH MESH BASED SUTURE TAB BAUSCH & LOMB INCORPORATED (US) 2005-07-21 WO disclosed
WO-2005063204-A2 DRUG DELIVERY DEVICE WITH SUTURE RING BAUSCH & LOMB INCORPORATED (US) 2005-07-14 WO disclosed
WO-2005004841-A1 DRUG DELIVERY DEVICE BAUSCH & LOMB INCORPORATED (US) 2005-01-20 WO disclosed
WO-2004064839-A1 SALTS OF CODRUGS OF AN OPIOID TOGETHER WITH A SECOND ACTIVE MOIETY AND USES THERETO CONTROL DELIVERY SYSTEMS, INC. (US) 2004-08-05 WO disclosed
EP-1404295-A2 SUSTAINED RELEASE DRUG DELIVERY DEVICES WITH COATED DRUG CORES BAUSCH & LOMB INCORPORATED (US) 2004-04-07 EP disclosed
WO-2002053130-A2 SUSTAINED RELEASE DRUG DELIVERY DEVICES WITH COATED DRUG CORES BAUSCH & LOMB INCORPORATED (US) 2002-07-11 WO disclosed