Bicarbonate

Bicarbonate

SCHEMBL7994130

C=CC.CN1c2ccccc2N(C)c2ccccc21.O=C(O)O

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 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ NOX1 Q9Y5S8 2/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 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
Phthalic Acid SCHEMBL28900020 0.77 ALDH1A1 (0.67) MAPTALDH1A1TDP1MYCNR4A1
Naphthalene SCHEMBL9279433 0.77 ALDH1A1 (0.47) AKT1MAPTALDH1A1PKMEGFR
SCHEMBL13636983 0.75 — —
SCHEMBL482716 0.75 MAOA (0.60) HDAC4HDAC7HDAC5NOX1MAOA
SCHEMBL4571020 0.75 MAOA (0.60) HDAC4HDAC7HDAC5NOX1MAOA
SCHEMBL29390564 0.75 MAOA (0.60) HDAC4HDAC7HDAC5NOX1MAOA
Benzene SCHEMBL9744618 0.75 LMNA (0.44) AKT1ALDH1A1LMNATDP1ALOX15
Phthalic Acid SCHEMBL9722583 0.75 ALDH1A1 (0.70) MAPTALDH1A1TDP1MYCNR4A1
Toluene SCHEMBL8733082 0.75 LMNA (0.55) AKT1NPC1RAB9AMAPTALDH1A1
Phenol SCHEMBL28063923 0.75 CA12 (0.55) AKT1MAOANPC1RAB9AMAPT

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
EP-0886803-A4 IMPROVED ELECTROCHROMIC LAYER AND DEVICES COMPRISING SAME GENTEX CORP (US) 2000-04-12 — — EP disclosed
EP-0886803-A1 IMPROVED ELECTROCHROMIC LAYER AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 1998-12-30 — — EP disclosed
WO-1997034186-A1 IMPROVED ELECTROCHROMIC LAYER AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 1997-09-18 — — WO disclosed
Send feedback