Sugi Predict

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Bicarbonate

Bicarbonate

SCHEMBL4256389

O=C(O)CC(CC(=O)O)(OB(O)O)C(=O)O.O=C(O)CC(CC(=O)O)(OB(O)O)C(=O)O.O=C(O)CC(CC(=O)O)(OB(O)O)C(=O)O.O=C(O)CC(CC(=O)O)(OB(O)O)C(=O)O.O=C(O)CC(CC(=O)O)(OB(O)O)C(=O)O.O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-]

nearest known ligand 0.31

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 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL7028343 0.96 ALDH1A1 (0.33) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5967516 0.88 ALDH1A1 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Phosphoric Acid SCHEMBL2830544 0.72 — —
SCHEMBL15847108 0.70 — —
Hydrochloric Acid SCHEMBL10335264 0.70 — —
SCHEMBL5034921 0.70 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Bicarbonate SCHEMBL6944573 0.68 CYP2C19 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5983979 0.68 CYP2C19 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL21647263 0.65 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9483954 0.65 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046269-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE The Procter and Gamble Company (US) 2009-04-15 — — EP disclosed
WO-2008016684-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2008-02-07 — — WO disclosed
WO-2008016637-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE APPLETON PAPERS INC. (US) 2008-02-07 — — WO disclosed
EP-1406993-A1 METHOD FOR IMPROVING EFFERVESCENCY OF A DETERGENT PRODUCT THE PROCTER & GAMBLE COMPANY (US) 2004-04-14 — — EP disclosed
EP-1228182-A1 DETERGENT COMPOSITIONS COMPRISING A FRAGRANT REACTION PRODUCT THE PROCTER & GAMBLE COMPANY (US) 2002-08-07 — — EP disclosed
EP-1224252-A1 DETERGENT COMPOSITIONS AND METHODS FOR CLEANING THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 — — EP disclosed
EP-1196526-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 — — EP disclosed
EP-1187906-A1 DETERGENT COMPOSITION The Procter & Gamble Company (US) 2002-03-20 — — EP disclosed
EP-1187900-A1 DETERGENT PARTICLES AND PROCESSES FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2002-03-20 — — EP disclosed
EP-1015539-A4 BLEACHING COMPOSITIONS PROCTER & GAMBLE (US) 2002-01-30 — — EP disclosed
WO-1999016802-A1 COPOLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 — — WO disclosed
WO-1999016801-A1 GLYOXYLIC COMPOUND COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 — — WO disclosed
WO-1999014304-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 — — WO disclosed
WO-1999014303-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 — — WO disclosed
WO-1999013040-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 — — WO disclosed
WO-1999013037-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 — — WO disclosed
WO-1998035002-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-13 — — WO disclosed
WO-1998035004-A1 SOLID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-13 — — WO disclosed
WO-1998013452-A1 DETERGENT COMPOSITION OR COMPONENT THE PROCTER & GAMBLE COMPANY (US) 1998-04-02 — — WO disclosed
WO-1998013453-A1 DETERGENT PARTICLE THE PROCTER & GAMBLE COMPANY (US) 1998-04-02 — — WO disclosed