Nitric Acid

Nitric Acid

SCHEMBL9874805

O=[N+]([O-])O.O=[N+]([O-])O.OCCCCCCCCCCCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. 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
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
GSTM2 P28161 3/20 0.32
GSTP1 P09211 3/20 0.32
CA2 P00918 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
1,6-Hexanediol SCHEMBL9873793 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
1,5-Pentanediol SCHEMBL3765568 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
1,6-Hexanediol SCHEMBL3771601 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
Nitric Acid SCHEMBL25264224 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
1,5-Pentanediol SCHEMBL9875084 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
Nitric Acid SCHEMBL25180668 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
Nitric Acid SCHEMBL25202723 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
Nitric Acid SCHEMBL25180692 1.00 CA5A (0.53) CA5ACA5BALDH1A1TDP1GPR84
1,4-Butanediol SCHEMBL1220765 0.97 CA5A (0.57) CA5ACA5BALDH1A1TDP1GPR84
1,4-Butanediol SCHEMBL9322154 0.97 CA5A (0.57) CA5ACA5BALDH1A1TDP1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed