Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5406243

COc1cc(-c2c3ccccc3[n+](C)c3ccccc23)ccc1NC(=O)[C@H](C)N.[Cl-]

nearest known ligand 0.44

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 14)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 4/20 0.42
IDO1 P14902 2/20 0.44
CIT O14578 1/20 0.42
LPAR1 Q92633 5/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5277348 0.99 IDO1 (0.45) IDO1ACHECITLPAR1MAPT
Hydrochloric Acid SCHEMBL5414138 0.84 IDO1 (0.41) IDO1MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL5404002 0.82 HTT (0.47) ACHEMAPTALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL5404008 0.79 ACHE (0.62) IDO1ACHECITTAAR1
Hydrochloric Acid SCHEMBL5414835 0.78 ACHE (0.60) IDO1ACHECITTAAR1
SCHEMBL5273957 0.78 ACHE (0.63) IDO1ACHECITTAAR1
Hydrochloric Acid SCHEMBL5406241 0.73 ACHE (0.38) ACHEALDH1A1
SCHEMBL7738209 0.72 IDO1 (0.67) IDO1LPAR1KDM4EALDH1A1TAAR1
SCHEMBL6265104 0.72 ACHE (0.58) IDO1ACHEALDH1A1
SCHEMBL5277342 0.71 ACHE (0.38) ACHEALDH1A1

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-7223865-B2 Chromogenic compounds, and use thereof as enzyme substrates BIOMERIEUX (FR) 2007-05-29 US disclosed
US-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria BIOMERIEUX (FR) 2006-02-16 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-20060035306-A1 Enzyme substrates, culture media containing same and use thereof in order to detect aminopeptidase activity and/or differentiate gram-positive bacteria from gram-negative bacteria ANPEP, RNPEP, DNPEP ACHE 393/4885IDO1 221/4885CIT 2391/4885

“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.