Bicarbonate

Bicarbonate

SCHEMBL5014541

N=C(NN)N(N)N.O=C(O)O

nearest known ligand 0.33

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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 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL263810 0.88
SCHEMBL6261190 0.85
Hydrochloric Acid SCHEMBL508111 0.85
SCHEMBL11876388 0.84
Sulfuric Acid SCHEMBL8648494 0.81 KDM4E (0.35)
Nitric Acid SCHEMBL7455687 0.77 CA5A (0.38)
Nitric Acid SCHEMBL241104 0.77 CA5A (0.38)
Perchlorate SCHEMBL6260971 0.76
SCHEMBL6261197 0.75 ALDH1A1 (0.31)
Guanidine SCHEMBL7622738 0.74 CA5A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573203-B A kind of cryogenic gas propellant 湖北航天化学技术研究所 2019-10-11 CN claimed
CN-107573203-A A kind of cryogenic gas propellant 湖北航天化学技术研究所 2018-01-12 CN claimed
CN-105777587-A N-nitrotrinitroethyl carbamate energetic ionic salt and preparation method and application thereof 中国科学院上海有机化学研究所 2016-07-20 CN claimed
US-20080286165-A1 Guanidine Based Composition and System for Same GRAUPNER ROBERT K 2008-11-20 US claimed
CN-1976874-A Guanidine-based compositions and systems for use in such compositions GRAUPNER ROBERT K (US) 2007-06-06 CN claimed
EP-1742871-A2 GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME Graupner, Robert K. (US) 2007-01-17 EP claimed
WO-2005108289-A2 GUANIDINE BASED COMPOSITION AND SYSTEM FOR SAME GRAUPNER ROBERT K (US) 2005-11-17 WO claimed
CN-107573203-B A kind of cryogenic gas propellant 湖北航天化学技术研究所 2019-10-11 CN disclosed
CN-105777587-B N- nitro Trinitroethyls carbamate ion salt containing energy, preparation method and application 中国科学院上海有机化学研究所 2018-06-26 CN disclosed
CN-107573203-A A kind of cryogenic gas propellant 湖北航天化学技术研究所 2018-01-12 CN disclosed