Sugi Predict

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Bicarbonate

Bicarbonate

SCHEMBL9208564

CCCCC=C(c1cccnc1)c1ccc2c(c1)CC(NC(C)=O)C2.O=C(O)O

nearest known ligand 0.57

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 2)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 20/20 0.57
▸ TBXA2R P21731 4/20 0.57

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
Charcoal, Activated SCHEMBL10444782 0.97 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL10444781 0.95 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL8883848 0.91 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL8883856 0.91 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL9208561 0.90 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL8885287 0.90 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL8885296 0.86 TBXAS1 (0.52) TBXAS1TBXA2R
SCHEMBL10444797 0.83 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL10444799 0.83 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9206563 0.79 CA1 (0.48) TBXAS1TBXA2R

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
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 — — EP disclosed