Bicarbonate

Bicarbonate

SCHEMBL8962456

C1=CCCC=C1.C=Cc1cccnc1Cc1ccccc1.O=C(O)O

nearest known ligand 0.37

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
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TBXAS1 P24557 2/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR4 P61073 1/20 0.31
P2RX7 Q99572 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL20767516 0.85 KDM4E (0.41) KDM4EMEN1KMT2APAX8ALDH1A1
SCHEMBL17595558 0.74 TRIM24 (0.48) KDM4EMEN1KMT2AHSP90AA1PAX8
SCHEMBL20767501 0.72 PARP1 (0.45) KDM4EMEN1KMT2AHSP90AA1NPC1
SCHEMBL8053621 0.71 KDM4E (0.45) KDM4EALDH1A1TSHR
SCHEMBL28183445 0.71 KDM4E (0.42) KDM4EPAX8ALDH1A1CYP2C9
SCHEMBL11633202 0.70 KDM4E (0.41) KDM4EHSP90AA1PAX8ALDH1A1CYP2C9
SCHEMBL28163969 0.68 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL17596455 0.68 MAPT (0.47) MEN1KMT2APOLBHSP90AA1SMN1; SMN2
SCHEMBL29108311 0.67 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL258223 0.67 ALDH1A1 (0.55) KDM4EPOLBALDH1A1CYP2C9KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695437-A1 PHOTOCURABLE COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1996-02-07 EP disclosed
US-5464538-A Reverse osmosis membrane THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
WO-1994024609-A2 PHOTOCURABLE COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1994-10-27 WO disclosed
US-5310581-A Photoresists, reacting photolabile onium with a photoreactive nucleophile, modified vinylbenzyl chloride polymer THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
US-5238747-A Compounds with onium groups cured with compound having nucleophilic groups; photoresists release agents THE DOW CHEMICAL COMPANY (US) 1993-08-24 US disclosed