Bicarbonate

Bicarbonate

SCHEMBL9619880

O=C(O)O.O=C(O)O.OOOc1ccccc1.OOOc1ccccc1

nearest known ligand 0.45

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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 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.45
▸ ALOX15 P16050 2/20 0.44
▸ CTNNB1 P35222 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ SRC P12931 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39

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
SCHEMBL442148 0.92 — —
SCHEMBL7131367 0.84 LTA4H (0.41) PARP10ALOX15CTNNB1TSHRLTA4H
Bicarbonate SCHEMBL5680603 0.78 PARP10 (0.54) PARP10ALOX15CTNNB1TSHRLTA4H
SCHEMBL31265343 0.77 MMP3 (0.46) TDP1HSD17B10CYP3A4CYP2C19PKM
SCHEMBL19564729 0.76 KMT2A (0.35) PARP10PARP1
SCHEMBL9972334 0.76 LTA4H (0.43) PARP10ALOX15CTNNB1TSHRLTA4H
Diphenylether SCHEMBL360280 0.75 LTA4H (0.75) PARP10CTNNB1TSHRLTA4HHPGD
Diphenylether SCHEMBL5606885 0.75 LTA4H (0.75) PARP10CTNNB1TSHRLTA4HHPGD
Diphenylether SCHEMBL1965337 0.75 LTA4H (0.75) PARP10CTNNB1TSHRLTA4HHPGD
SCHEMBL4592607 0.74 ALOX15 (0.44) PARP10ALOX15TSHRLTA4HSRC

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-0229678-B1 FLUID ORGANOSILICONIC COMPOSITION AND PROCESS FOR PREPARING IT ENICHEM SYNTHESIS S.p.A. (IT) 1992-03-11 — — EP disclosed
US-4746702-A SEALANTS ENICHEM SINTESI S.P.A. (IT) 1988-05-24 — — US disclosed
EP-0229678-A2 Fluid organosiliconic composition and process for preparing it ENICHEM SYNTHESIS S.p.A. (IT) 1987-07-22 — — EP disclosed
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