Bicarbonate

Bicarbonate

SCHEMBL6470832

CCC1CCCCC1.O=C(O)O

nearest known ligand 0.42

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
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
EPHX1 P07099 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.40
HSD11B1 P28845 1/20 0.39
FFAR3 O14843 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
Bicarbonate SCHEMBL10453278 0.97 CYP1A2 (0.39) CYP1A2LMNACYP2D6EPHX1HPGD
Propionic Acid SCHEMBL19813178 0.92 FFAR3 (0.50) CYP1A2LMNACYP2D6EPHX1HPGD
Cyclohexane SCHEMBL28777359 0.92 CYP1A2 (0.41) CYP1A2LMNACYP2D6EPHX1HPGD
Acetic Acid SCHEMBL2485175 0.92 CYP1A2 (0.41) CYP1A2LMNACYP2D6EPHX1HPGD
Bicarbonate SCHEMBL2862271 0.92 ALOX5 (0.38) CYP1A2LMNACYP2D6EPHX1ALOX5
Acetone SCHEMBL28163399 0.90 CYP1A2 (0.42) CYP1A2EPHX1HPGDKMT2AALOX5
Acetic Acid SCHEMBL27585871 0.90 CYP1A2 (0.37) CYP1A2LMNACYP2D6EPHX1HPGD
Urea SCHEMBL1837609 0.87 ALOX5 (0.48) CYP1A2CYP2D6EPHX1HPGDKMT2A
Carbamic Acid SCHEMBL7781024 0.87 ALOX5 (0.45) CYP1A2LMNACYP2D6EPHX1ALOX5
Urea SCHEMBL11805177 0.87 ALOX5 (0.48) CYP1A2CYP2D6EPHX1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887817-B2 Olefin polymerization catalyst and process for preparing polyolefins using said catalyst FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2005-05-03 US claimed
US-20040039139-A1 Olefin polymerization catalyst and process for preparing polyolefins using said catalyst FORMOSA PLASTICS CO., U.S.A. 2004-02-26 US claimed
US-20030069372-A1 Olefin polymerization catalyst and process for preparing polyolefins with said catalyst FORMOSA PLASTICS CORPORATION, U.S.A. 2003-04-10 US claimed
US-6887817-B2 Olefin polymerization catalyst and process for preparing polyolefins using said catalyst FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2005-05-03 US disclosed
US-20040039139-A1 Olefin polymerization catalyst and process for preparing polyolefins using said catalyst FORMOSA PLASTICS CO., U.S.A. 2004-02-26 US disclosed
US-20030069372-A1 Olefin polymerization catalyst and process for preparing polyolefins with said catalyst FORMOSA PLASTICS CORPORATION, U.S.A. 2003-04-10 US disclosed
EP-0597119-B1 CYCLOOLEFIN COPOLYMER COMPOSITION AND PRODUCTION THEREOF MITSUI CHEMICALS INC (JP) 2000-12-13 EP disclosed
EP-0608903-B1 Cycloolefin polymer composition MITSUI CHEMICALS INC (JP) 1999-04-07 EP disclosed
US-5567777-A CONTAINING AN ALPHA-OLEFIN; TRANSPARENCY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-10-22 US disclosed
US-5567776-A BLEND ELASTOMERIC COPOLYMERS CONTAINING ALPHA- AND CYCLO-OLEFINS; IMPACT STRENGTH, TRANSPARENCY, FIBER OPTICS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-10-22 US disclosed
US-5494969-A IMPACT STRENGTH, TRANSPARENCY, HEAT RESISTANCE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-02-27 US disclosed
US-4544648-A COORDINATION CATALYST TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-10-01 US disclosed
EP-0141500-A1 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-05-15 EP disclosed
EP-0140536-A1 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP disclosed
EP-0136112-A2 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-04-03 EP disclosed
EP-0136113-A2 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-04-03 EP disclosed
EP-0136163-A2 Process for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-04-03 EP disclosed
EP-0127487-A1 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1984-12-05 EP disclosed
EP-0126934-A2 Process for the preparation of 1,1-disubstituted thioureas BASF Aktiengesellschaft (DE) 1984-12-05 EP disclosed
EP-0115691-A1 Catalyst component for polymerization of olefins Tonen Corporation (JP) 1984-08-15 EP disclosed