Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL7130344

CC1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(OC(=O)[C@@H]1OCCC1O)C(=O)OCF.CC1CC2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(=O)[C@@H]1OCCC1O)C(=O)OCF.O=C([O-])[O-].[K+].[K+]

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 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NR3C1 P04150 3/20 0.41
▸ PGR P06401 3/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ NR1I2 O75469 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CYP19A1 P11511 9/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL7187631 0.88 LMNA (0.47) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7132288 0.88 LMNA (0.47) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7137249 0.87 LMNA (0.48) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7076650 0.83 LMNA (0.46) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7136967 0.74 LMNA (0.48) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL4220943 0.73 LMNA (0.52) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL4218774 0.73 LMNA (0.52) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL11499964 0.73 NR3C1 (0.64) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7081750 0.73 LMNA (0.52) LMNAMAPTNR3C1PGRHIF1A
SCHEMBL7135801 0.72 LMNA (0.49) LMNAMAPTNR3C1PGRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003062259-A2 NON-AROMATIC 17.ALPHA.-ESTERS OF ANDROSTANE-17.BETA.-CARBOXYLATE ESTERS AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2003-07-31 — — WO disclosed