Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1737122

CCc1cccc(CC)c1-[n+]1ccc(-c2cc[n+](-c3c(CC)cccc3CC)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.41

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
▸ GABRA1 P14867 4/20 0.41
▸ GABRB2 P47870 4/20 0.41
▸ HTR1A P08908 2/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ DDO Q99489 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL13397530 0.98 GABRA1 (0.43) GABRA1GABRB2HTR1ATP53MEN1
Hydrochloric Acid SCHEMBL3143919 0.71 CYP2A6 (0.36) MEN1CYP1A2KMT2ASLC22A2SLC22A1
Hydrochloric Acid SCHEMBL29672576 0.71 GABRA1 (0.34) GABRA1GABRB2HTR1ADRD2DRD4
SCHEMBL5159445 0.69 CYP2A6 (0.38) MEN1CYP1A2KMT2ASLC22A2SLC22A1
SCHEMBL3238496 0.66 GABRA1 (0.57) GABRA1GABRB2CYP1A2CYP2D6CYP2C19
SCHEMBL25425763 0.62 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL36294 0.62 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL29390847 0.62 GABRA1 (0.58) GABRA1GABRB2TP53CYP2D6MAPT
SCHEMBL599099 0.61 GABRA1 (0.57) GABRA1GABRB2HTR1ATAAR1TP53
SCHEMBL245773 0.61 GABRA1 (0.57) GABRA1GABRB2HTR1ATAAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0962923-B1 Information recording medium and novel oxonol compound FUJIFILM CORP (JP) 2011-11-16 — — EP disclosed
US-20110263215-A1 Method and Device in Over-the-Air Test Environment TELEFONAKTIEBOLAGET LM ERICSSON (PUBL) (SE) 2011-10-27 — — US disclosed
US-6646132-B2 Optical recording media FUJI PHOTO FILM CO., LTD. (JP) 2003-11-11 — — US disclosed
US-20020009669-A1 Information recording medium and novel oxonol compound FUJIFILM CORPORATION (JP) 2002-01-24 — — US disclosed
US-6225024-B1 METHINE OXONOL DYE FUJI PHOTO FILM CO., LTD. (JP) 2001-05-01 — — US disclosed
EP-0962923-A1 Information recording medium and novel oxonol compound FUJI PHOTO FILM CO., LTD. (JP) 1999-12-08 — — 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 (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-20020009669-A1 Information recording medium and novel oxonol compound CACNA1S, KCNN1, KCNN2 GABRA1 2624/4885GABRB2 2611/4885HTR1A 746/4885

“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.

Send feedback