Nitric Acid

Nitric Acid

SCHEMBL1718

Cc1ccc([N+](=O)[O-])cc1N=C(N)N.O=[N+]([O-])O

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
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 4/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PLAU P00749 2/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRIN2D O15399 3/20 0.49
GRIN3B O60391 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2B Q13224 3/20 0.49
GRIN2C Q14957 3/20 0.49
GRIN3A Q8TCU5 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GFER P55789 1/20 0.47
NOS1 P29475 2/20 0.46
ADRA2A P08913 1/20 0.45

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
SCHEMBL2694958 0.97 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1PLAU
Hydrochloric Acid SCHEMBL14763718 0.95 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1PLAU
Sulfuric Acid SCHEMBL21799347 0.91 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRTDP1PLAU
Nitric Acid SCHEMBL3858362 0.88 GRIN2D (0.63) ALDH1A1CYP3A4TSHRTDP1PLAU
SCHEMBL11876448 0.84 GRIN2D (0.66) ALDH1A1CYP3A4TSHRTDP1PLAU
Nitric Acid SCHEMBL7811356 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1PLAU
Nitric Acid SCHEMBL3221126 0.81 PLAU (0.41) ALDH1A1CYP3A4TDP1PLAUCYP2C9
Nitric Acid SCHEMBL3860675 0.81 TDP1 (0.55) CYP3A4TDP1PLAUCYP2C9CYP2C19
Nitric Acid SCHEMBL1587382 0.77 PLAU (0.59) ALDH1A1TSHRTDP1PLAUGRIN2D
Nitric Acid SCHEMBL1587377 0.77 PLAU (0.59) ALDH1A1TSHRTDP1PLAUGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039921-A Synthesis process of imatinib and imatinib mesylate 杭州沧海帆医药科技有限公司 2020-04-21 CN claimed
EP-1833815-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2007-09-19 EP claimed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 WO claimed
CN-111039921-A Synthesis process of imatinib and imatinib mesylate 杭州沧海帆医药科技有限公司 2020-04-21 CN disclosed
CN-111039921-A Synthesis process of imatinib and imatinib mesylate 杭州沧海帆医药科技有限公司 2020-04-21 CN disclosed
EP-2829538-A1 Polymorphic form of imatinib mesylate and process for its preparation Sicor, Inc. (US) 2015-01-28 EP disclosed
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-8067421-B2 Polymorphic forms of imatinib mesylate and processes for preparation of novel crystalline forms as well as amorphous and form α SICOR INC. (US) 2011-11-29 US disclosed
EP-2352827-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS Avila Therapeutics, Inc. (US) 2011-08-10 EP disclosed
US-7977348-B2 Polymorphic forms of imatinib mesylate and processes for preparation of novel crystalline forms as well as amorphous and form α SICOR INC. (US) 2011-07-12 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 WO disclosed
US-20040248918-A1 Anticancer agents IL YANG PHARM. CO., LTD. 2004-12-09 US disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 WO disclosed
WO-2004099187-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM. CO. LTD. (KR) 2004-11-18 WO disclosed
US-20040224967-A1 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2004-11-11 US disclosed
CN-1043531-C Pyrimidine derivatives and a process for production thereof NOVATIS AG (CH) 1999-06-02 CN disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
CN-1077713-A Pyrimidine derivatives and preparation method thereof CIBA GEIGY AG (CH) 1993-10-27 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS DKK1, HPN, OSBP2 ALDH1A1 3889/4885CYP3A4 4096/4885TSHR 4461/4885
US-20040248918-A1 Anticancer agents BRDT, CHIA, RNASE1 ALDH1A1 941/4885CYP3A4 4519/4885TSHR 4475/4885
US-20040224967-A1 Phenylaminopyrimidine derivatives and methods of use ABL1, ABL2, LCK ALDH1A1 331/4885CYP3A4 1774/4885TSHR 4732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.