Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1194595

Cc1cc(C)n(Cc2cc(-c3ccc[n+](CC(=O)c4cccs4)c3)n(-c3ccccc3)n2)n1.[Cl-]

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GRM5 P41594 1/20 0.38
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
Bromide SCHEMBL6597846 0.86 KMT2A (0.46) MAPTHPGDALDH1A1CYP1A2CYP2C9
Bromide SCHEMBL5359071 0.76 EPHX2 (0.41) MAPTGRM5HPGDALDH1A1NPC1
Bromide SCHEMBL6608939 0.73 SLC16A3 (0.39) MAPTGRM5HPGDALDH1A1NPC1
SCHEMBL5365072 0.71 NPC1 (0.52) MAPTHPGDALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1193919 0.70 KMT2A (0.44) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1193715 0.69 MAPT (0.34) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL6596459 0.69 KMT2A (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6596219 0.68 MAPT (0.35) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL3689760 0.67 SMN1; SMN2 (0.39) MAPTHPGDALDH1A1RAB9ALMNA
Bromide SCHEMBL1194391 0.67 SMN1; SMN2 (0.38) MAPTHPGDALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034378-A1 Pharmaceutical Combinations Comprising Specified Age Breaker and Further Drugs, I.A. Antihypertensive Drugs, Antidiabetic Drugs Etc. TORRENT PHARMACEUTICALS LTD. (IN) 2011-02-10 US 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 (1 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-20110034378-A1 Pharmaceutical Combinations Comprising Specified Age Breaker and Further Drugs, I.A. Antihypertensive Drugs, Antidiabetic Drugs Etc. AGER, F12, DPP4 MAPT 4535/4885GRM5 2051/4885HPGD 3304/4885

“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.