Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5612693

Fc1ccc(C#C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]

nearest known ligand 0.38

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 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
HSD17B2 P37059 1/20 0.37
APP P05067 1/20 0.36
FFAR1 O14842 1/20 0.35
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 4/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CYP19A1 P11511 1/20 0.30
MMP13 P45452 1/20 0.30
MAPK14 Q16539 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
Bromide SCHEMBL25415662 0.96 MMP2 (0.38) MMP2MMP9MMP12HSD17B2APP
Bromide SCHEMBL17048143 0.81 APP (0.50) APPMAPTGRM5CYP1A2
Bromide SCHEMBL25416864 0.77 KCNH2 (0.38) MMP2MMP9APPMAPTGRM5
Bromide SCHEMBL23883178 0.77 CA12 (0.41) NFE2L2GRM5
SCHEMBL18867945 0.74 APP (0.67) MMP2MMP9MMP12APPFFAR1
SCHEMBL717468 0.74 APP (0.67) MMP2MMP9MMP12APPFFAR1
SCHEMBL29288285 0.72 TSHR (0.44) MMP2MMP9MMP12HSD17B2FFAR1
Bromide SCHEMBL23883201 0.70 ASIC3 (0.40) CYP1A1CYP1A2CYP1B1
Bromide SCHEMBL25415664 0.69 HSD17B2 (0.37) HSD17B2GRM5
SCHEMBL15943546 0.69 FFAR1 (0.40) MMP2MMP9MMP12HSD17B2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO 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 (2 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-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP MMP2 36/4885MMP9 53/4885MMP12 14/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP MMP2 49/4885MMP9 57/4885MMP12 13/4885

“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.