Bicarbonate

Bicarbonate

SCHEMBL3208132

C=Cc1ccc(C)cc1.O=C(O)O

nearest known ligand 0.52

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
▸ ALDH1A1 P00352 8/20 0.52
▸ CYP2A6 P11509 1/20 0.48
▸ FOS P01100 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NLRP1 Q9C000 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
Acetic Acid SCHEMBL28854711 0.93 ALDH1A1 (0.50) ALDH1A1CYP2A6FOSJUNSMN1; SMN2
Acrylic Acid SCHEMBL80864 0.91 ALDH1A1 (0.48) ALDH1A1CYP2A6FOSJUNSMN1; SMN2
Maleic Acid SCHEMBL8864871 0.89 ALDH1A1 (0.57) ALDH1A1CYP2A6FOSJUNSMN1; SMN2
Benzene SCHEMBL28408287 0.87 ALDH1A1 (0.61) ALDH1A1CYP2A6SMN1; SMN2TSHRMAPT
Methacrylic Acid SCHEMBL5788718 0.87 CYP3A4 (0.46) ALDH1A1CYP2A6FOSJUNSMN1; SMN2
SCHEMBL14911 0.87 — —
SCHEMBL679555 0.87 ALDH1A1 (0.69) ALDH1A1CYP2A6SMN1; SMN2TSHRMAPT
Formic Acid SCHEMBL8861832 0.86 CYP2A6 (0.54) ALDH1A1CYP2A6FOSJUNSMN1; SMN2
Ethane SCHEMBL23051531 0.85 ALDH1A1 (0.65) ALDH1A1CYP2A6SMN1; SMN2TSHRMAPT
Ethylene SCHEMBL10713150 0.85 ALDH1A1 (0.65) ALDH1A1CYP2A6SMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036137-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES MCGILL UNIVERSITY (CA) 2010-02-11 — — US disclosed
WO-2008034265-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES MCGILL UNIVERSITY (CA) 2008-03-27 — — WO 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-20100036137-A1 PROCESS FOR THE PREPARATION OF ALKYLENE CARBONATES SCO2, CYP11B2, CBR1 ALDH1A1 3289/4885CYP2A6 794/4885FOS 810/4885

“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.

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