Bicarbonate

Bicarbonate

SCHEMBL16668953

CN1CCN(CCN)CC1.O=C(O)O

nearest known ligand 0.59

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 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL10685407 0.88 ALOX15 (0.77) ALOX15PAOXSIGMAR1ALDH1A1LMNA
SCHEMBL42017 0.88 ALOX15 (0.77) ALOX15PAOXSIGMAR1ALDH1A1LMNA
SCHEMBL7530875 0.88 ALOX15 (0.77) ALOX15PAOXSIGMAR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3668489 0.85 ALOX15 (0.72) ALOX15PAOXSIGMAR1ALDH1A1GNAI3
Hydrochloric Acid SCHEMBL6898782 0.85 ALOX15 (0.72) ALOX15PAOXSIGMAR1ALDH1A1GNAI3
Hydrochloric Acid SCHEMBL1934087 0.85 ALOX15 (0.72) ALOX15PAOXSIGMAR1ALDH1A1GNAI3
SCHEMBL27358947 0.84 ALOX15 (0.50) ALOX15PAOXSIGMAR1KMT2AALDH1A1
SCHEMBL2916359 0.79 ALOX15 (0.62) ALOX15SIGMAR1TDP1ALDH1A1
Bicarbonate SCHEMBL16668719 0.79 L3MBTL1 (0.56) ALOX15CYP1A2KMT2AALDH1A1LMNA
Bicarbonate SCHEMBL16669032 0.79 PAOX (0.48) PAOXCYP1A2TDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956519-B2 Absorbent for desulfurization of combustion gas and method of treating combustion gas using the same HYUNDAI MOTOR COMPANY (KR) 2018-05-01 US claimed
CN-104587798-A ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KIA MOTORS CORP 2015-05-06 CN claimed
US-20150118136-A1 ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-04-30 US claimed
US-9956519-B2 Absorbent for desulfurization of combustion gas and method of treating combustion gas using the same HYUNDAI MOTOR COMPANY (KR) 2018-05-01 US disclosed
CN-104587798-A ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KIA MOTORS CORP 2015-05-06 CN disclosed
US-20150118136-A1 ABSORBENT FOR DESULFURIZATION OF COMBUSTION GAS AND METHOD OF TREATING COMBUSTION GAS USING THE SAME KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-04-30 US disclosed