Hydrochloric Acid

Hydrochloric Acid

SCHEMBL23198666

Oc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1.[Cl-]

nearest known ligand 0.64

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
NPC1 O15118 10/20 0.64
RAB9A P51151 10/20 0.64
NTSR1 P30989 3/20 0.64
NR2F2 P24468 1/20 0.64
RAD52 P43351 1/20 0.64
HTT P42858 3/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
KDM4E B2RXH2 1/20 0.64
UHRF1 Q96T88 1/20 0.64
RCE1 Q9Y256 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NPY1R P25929 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 2/20 0.50
CRHBP P24387 2/20 0.50

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
SCHEMBL9512235 0.98 RAB9A (0.61) NPC1RAB9ANTSR1NR2F2RAD52
Perchlorate SCHEMBL9508583 0.93 RAB9A (0.70) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL23198667 0.93 RAB9A (0.56) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL14164148 0.88 NPC1 (0.51) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL13698931 0.85 RAB9A (0.49) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL9290152 0.84 NPC1 (0.48) NPC1RAB9ANTSR1NR2F2RAD52
Trifluoromethanesulfonic Acid SCHEMBL23198662 0.83 NPC1 (0.50) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL805082 0.81 NPC1 (0.77) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL11533950 0.81 NPC1 (0.84) NPC1RAB9ANTSR1NR2F2RAD52
SCHEMBL158977 0.81 NPC1 (0.66) NPC1RAB9ANTSR1NR2F2RAD52

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-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS VERBIO SE (DE) 2021-07-08 US disclosed
EP-3802555-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS Verbio Vereinigte BioEnergie AG (DE) 2021-04-14 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-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS NOX5, AOC2, AOC3 NPC1 2332/4885RAB9A 3110/4885NTSR1 742/4885

“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.