Bicarbonate

Bicarbonate

SCHEMBL3894794

C=COC(=O)CCCCCCCCCCCCCCCCC.O=C(O)O

nearest known ligand 0.62

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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
TSHR P16473 5/20 0.62
DGKA P23743 1/20 0.52
PAM P19021 2/20 0.52
LMNA P02545 2/20 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
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

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
SCHEMBL7762583 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL14344225 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL20476 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL7540354 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL18055 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL25420469 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL680310 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL953501 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL10543145 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84
SCHEMBL346985 0.96 TSHR (0.67) TSHRDGKAPAMLMNAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477527-B1 AROMATIC POLYCARBONATE RESINS FOR OPTICAL DISK SUBSTRATES IDEMITSU KOSAN CO (JP) 2009-01-14 EP disclosed
US-7122614-B2 Aromatic polycarbonate resins for optical disk substrates IDEMITSU KOSAN CO., LTD. (JP) 2006-10-17 US disclosed
US-20050165204-A1 Aromatic polycarbonate resins for optical disk substrates IDEMITSU PETROCHEMICAL CO., LTD (JP) 2005-07-28 US disclosed
EP-1477527-A1 AROMATIC POLYCARBONATE RESINS FOR OPTICAL DISK SUBSTRATES IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-11-17 EP disclosed