Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL28388669

CCCCCCCC(C)(C)C.O=C(O)O

nearest known ligand 0.54

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
▸ CES2 O00748 1/20 0.48
▸ GPR84 Q9NQS5 7/20 0.48
▸ PPARG P37231 7/20 0.48
▸ PPARD Q03181 7/20 0.48
▸ PPARA Q07869 7/20 0.48
▸ HDAC11 Q96DB2 5/20 0.48
▸ TSHR P16473 4/20 0.48
▸ PTPN1 P18031 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TLR2 O60603 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ FABP4 P15090 2/20 0.48
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ SLC22A8 Q8TCC7 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PDE3A Q14432 1/20 0.48

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
Bicarbonate SCHEMBL9635222 0.97 AKR1B1 (0.46) CES2GPR84PPARGPPARDPPARA
Hydrogen Peroxide SCHEMBL28990433 0.92 TSHR (0.47) CES2TSHRGGPS1
SCHEMBL11127322 0.88 ALDH1A1 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL688638 0.87 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
Heptane SCHEMBL8391500 0.87 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL17954043 0.87 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
SCHEMBL688734 0.87 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL8460889 0.87 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL11234452 0.87 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Hexane SCHEMBL1985988 0.87 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380825-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-13 — — CN disclosed
CN-113490670-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2023-06-02 — — CN disclosed
CN-112771043-B Substituted pyrazole condensed ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2023-04-28 — — CN disclosed
CN-114380825-A Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-04-22 — — CN disclosed
CN-110964008-B Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2021-12-21 — — CN disclosed
CN-113490670-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2021-10-08 — — CN disclosed
CN-112771043-A Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2021-05-07 — — CN disclosed
CN-110964008-A Substituted pyrazole fused ring derivative and preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2020-04-07 — — CN disclosed