Bicarbonate

Bicarbonate

SCHEMBL3087568

C=Cc1ccc(C#N)cc1.O=C(O)O

nearest known ligand 0.55

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
GSK3B known ✓ P49841 1/20 0.41
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
HDAC2 Q92769 2/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
P4HB P07237 1/20 0.45
SNCA P37840 1/20 0.44
FBP1 P09467 4/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
Benzene SCHEMBL28598325 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL127502 0.89 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTKMT2A
Styrene SCHEMBL11503937 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL10243387 0.83 MMP3 (0.52) ALDH1A1LMNAKMT2AKDM4EHDAC2
SCHEMBL8351562 0.83 MMP3 (0.52) ALDH1A1LMNAKMT2AKDM4EHDAC2
Styrene SCHEMBL27589633 0.83 ALDH1A1 (0.64) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL12567409 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAMAPTKMT2A
Bicarbonate SCHEMBL11600216 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL28850052 0.82 TDP1 (0.50) ALDH1A1L3MBTL1LMNAMAPTKMT2A
Bicarbonate SCHEMBL11748879 0.82 CA2 (0.61) ALDH1A1L3MBTL1LMNAMAPTCA2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100255934-A1 COMPOSITIONS FOR GOLF EQUIPMENT ACUSHNET COMPANY 2010-10-07 US disclosed
US-7709590-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2010-05-04 US disclosed
US-7550549-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2009-06-23 US disclosed
US-20080188326-A1 Compositions for Golf Equipment ACUSHNET COMPANY 2008-08-07 US disclosed
US-7378483-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2008-05-27 US disclosed
US-20080064527-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2008-03-13 US disclosed
US-7276570-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-10-02 US disclosed
US-7265195-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-09-04 US disclosed
US-7256249-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-08-14 US disclosed
US-7253242-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2007-08-07 US disclosed
US-20050004325-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-06 US disclosed
US-20040220356-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220378-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220377-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220373-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220376-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220371-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220357-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-20040220375-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed
US-3954718-A Process for preparing polymers containing carbamoyl-hydroxamate groups and the resultant polymers STANFORD RESEARCH INSTITUTE (US) 1976-05-04 US disclosed