Nitric Acid

Nitric Acid

SCHEMBL9873795

CC(C)(CO)c1ccccc1.O=[N+]([O-])O

nearest known ligand 0.45

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
TAAR1 Q96RJ0 1/20 0.45
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
GSR P00390 1/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL300764 0.85 TAAR1 (0.58) TAAR1CYP2C19HIF1AMAPTKMT2A
Acetic Acid SCHEMBL6327506 0.82 TAAR1 (0.50) TAAR1CYP2C19HIF1AMAPTKMT2A
Nitric Acid SCHEMBL9874831 0.81 MEN1 (0.44) CYP2C19HIF1AKMT2APDK1PDK3
Nitric Acid SCHEMBL9491655 0.79 ESR1 (0.56) CYP2C19HIF1AMAPTKMT2AALDH1A1
Nitric Acid SCHEMBL9803865 0.78 CYP2C9 (0.41) CYP2C19HIF1AGSRKMT2AALDH1A1
SCHEMBL11444394 0.77 CYP2C19 (0.41) TAAR1CYP2C19HIF1AGSRMAPT
SCHEMBL6565904 0.77 CYP2C19 (0.46) TAAR1CYP2C19HIF1AMAPTKMT2A
SCHEMBL428785 0.77 ALDH1A1 (0.49) MAPTPDK1PDK3PDK4ALDH1A1
SCHEMBL10950133 0.76 TAAR1 (0.48) TAAR1CYP2C19HIF1AMAPTKMT2A
Butyric Acid SCHEMBL28532337 0.74 CYP2C19 (0.47) TAAR1CYP2C19HIF1AMAPTKMT2A

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