Bicarbonate

Bicarbonate

SCHEMBL4950236

C=CCN=C(C)N(C)C.O=C(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 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL1479710 0.91
SCHEMBL1479711 0.91
Acetic Acid SCHEMBL27827142 0.76 NOS2 (0.30)
SCHEMBL4449114 0.71
SCHEMBL4241571 0.71
SCHEMBL23710692 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10930795 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2083857 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15520994 0.69 HSD17B10 (0.42) ALDH1A1
SCHEMBL6674331 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130087072-A1 Reversibly Switchable Surfactants and Methods of Use Thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-04-11 US disclosed
US-8283385-B2 Emulsion polymerization; oil industry QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-10-09 US disclosed
US-20080197084-A1 Reversibly switchable surfactants and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-08-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080197084-A1 Reversibly switchable surfactants and methods of use thereof SGMS1, SGMS2, HDHD5 ALDH1A1 3854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.