Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16458663

Cc1cccc(C(C2=C([Ti+3])C(C(C)C)=CC2)c2cccc(C)c2)c1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.36

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.31
CHRM1 known ✓ P11229 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
ACP3 P15309 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAPT P10636 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 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
Hydrochloric Acid SCHEMBL16458979 0.87 HDAC4 (0.34)
Hydrochloric Acid SCHEMBL16458869 0.84 ACHE (0.33) ACP3CYP11B1CYP19A1CYP11B2MAPT
Hydrochloric Acid SCHEMBL16459324 0.83 SLC6A2 (0.34) TRPA1SLC6A2
Hydrochloric Acid SCHEMBL16458454 0.80 ACP3 (0.31) ACP3CYP11B1CYP19A1CYP11B2MAPT
Hydrochloric Acid SCHEMBL16459105 0.79 AOC3 (0.31) ACP3CYP11B1CYP19A1CYP11B2MAPT
Hydrochloric Acid SCHEMBL16459478 0.79 AOC3 (0.31) ACP3CYP11B1CYP19A1CYP11B2MAPT
Hydrochloric Acid SCHEMBL16458553 0.78 ACP3 (0.35) ACP3MAPTMGAMGAASI
Hydrochloric Acid SCHEMBL16459202 0.78 ACHE (0.33) ACP3CYP11B1CYP19A1CYP11B2MAPT
Hydrochloric Acid SCHEMBL16459183 0.77 CYP19A1 (0.30) CYP19A1
Hydrochloric Acid SCHEMBL16457851 0.75 MEN1 (0.34) ACP3MAPTGAALMNACHRM1

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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 ACHE 446/4885CHRM1 914/4885SLC6A2 4749/4885

“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.