Bicarbonate

Bicarbonate

SCHEMBL15511345

O=C(O)O.O=C(c1ccccc1)c1c[nH]nn1

nearest known ligand 0.47

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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
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.46
CNR2 P34972 1/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 1/20 0.41
AKR1C3 P42330 1/20 0.38
ELANE P08246 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
DAO P14920 1/20 0.37
TSHR P16473 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
SCHEMBL947216 0.98 KMT2A (0.48) KMT2AALDH1A1CNR2MEN1NPC1
SCHEMBL27697491 0.88 CDC25B (0.46) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL2892472 0.80 ALDH1A1 (0.52) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL3230225 0.79 F2 (0.32) KMT2AALDH1A1NPC1RAB9AF2
Hydrogen Sulfide SCHEMBL11219494 0.78
SCHEMBL11082436 0.77 CES2 (0.42) ALDH1A1NPC1MAPTHPGDRAB9A
SCHEMBL10503149 0.76 NFE2L2 (0.46) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL9304330 0.76 F2 (0.30) F2LMNA
SCHEMBL21816437 0.75 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTPKM
SCHEMBL2892473 0.74 ALDH1A1 (0.43) ALDH1A1HPGDELANE

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
US-20140065121-A1 BLOOD PLASMA BASED HYDROGELS FOR TISSUE REGENERATION AND WOUND HEALING APPLICATIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-06 US disclosed
US-20140065106-A1 Blood Plasma Based Hydrogels for Tissue Regeneration and Wound Healing Applications BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-06 US disclosed
WO-2014035721-A1 BLOOD PLASMA BASED HYDROGELS FOR TISSUE REGENERATION AND WOUND HEALING APPLICATIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-06 WO disclosed
WO-2014035725-A1 BLOOD PLASMA HYDROGELS FOR TISSUE REGENERATION AND WOUND HEALING APPLICATIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-06 WO disclosed