Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4117722

[Cl-].[Cl-].[Ni+2].c1ccc(PCCCPc2ccccc2)cc1.c1ccc(PCCCPc2ccccc2)cc1

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA7 P43166 1/20 0.30

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
Hydrochloric Acid SCHEMBL222541 1.00 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL5107414 0.95 CA1 (0.30) CA1CA2CA9CA12GLA
SCHEMBL197099 0.95 CA1 (0.33) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165412 0.92 CA1 (0.32) CA1CA2CA9CA12GLA
SCHEMBL1398394 0.92 CA1 (0.32) CA1CA2CA9CA12GLA
SCHEMBL7769634 0.92 CA1 (0.32) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL7165413 0.92 CA1 (0.32) CA1CA2CA9CA12GLA
Bromide SCHEMBL5510644 0.90 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL5107617 0.90 CA1 (0.30) CA1CA2CA9CA12GLA
Hydrochloric Acid SCHEMBL222540 0.90 CA1 (0.30) CA1CA2CA9CA12GLA

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
JP-7048292-A None JP disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US disclosed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP disclosed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US disclosed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
WO-2003101601-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2003-12-11 WO disclosed
US-5314976-A Heterocyclic polymers NATIONAL SCIENCE COUNCIL (TW) 1994-05-24 US disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5272234-A Photo-responsive conductive polymers and the processes of making the same NATIONAL SCIENCE COUNCIL (TW) 1993-12-21 US disclosed
EP-0535635-A1 Tolane derivative, liquid crystal composition containing the derivative, and liquid crystal display device using the composition SEIKO EPSON CORPORATION (JP) 1993-04-07 EP disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP 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-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes DDT, DUOX2, DYRK4 CA1 2083/4885CA2 1916/4885CA9 1124/4885
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR CA1 2690/4885CA2 1869/4885CA9 4077/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CA1 3796/4885CA2 3198/4885CA9 3925/4885

“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.