Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3301894

CC1=C(c2ccccc2)CC([Zr+2])=C1C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.31

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 8)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
HTR3A P46098 1/20 0.31
PDE4D Q08499 1/20 0.31
BCAT2 O15382 1/20 0.30
CFTR P13569 1/20 0.30
GOPC Q9HD26 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
SCHEMBL8094769 0.73 PTGS2 (0.34) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL3675409 0.71
Hydrochloric Acid SCHEMBL4017281 0.65
Hydrochloric Acid SCHEMBL4022099 0.65
Hydrochloric Acid SCHEMBL9577145 0.65
Hydrochloric Acid SCHEMBL7208697 0.65 ADRA2C (0.35) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL6553563 0.65 CHRNB2 (0.33) BCAT2
Hydrochloric Acid SCHEMBL8927340 0.65
Hydrochloric Acid SCHEMBL3388374 0.65
SCHEMBL31608569 0.63 CYP17A1 (0.47) PTGS2CFTRGOPC

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-8329841-B2 Photoreactive polymer and method for preparing the same LG CHEM, LTD. (KR) 2012-12-11 US claimed
US-20120149848-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2012-06-14 US claimed
US-20100093955-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2010-04-15 US claimed
WO-2008115028-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2008-09-25 WO claimed
US-8329841-B2 Photoreactive polymer and method for preparing the same LG CHEM, LTD. (KR) 2012-12-11 US disclosed
US-20120149848-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2012-06-14 US disclosed
US-20100093955-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2010-04-15 US disclosed
WO-2008115028-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2008-09-25 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-20120149848-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME PCNA, LCP1, CCND2 ADRA2C 4150/4885PTGS2 3216/4885HRH1 4223/4885
US-20100093955-A1 PHOTOREACTIVE POLYMER AND METHOD FOR PREPARING THE SAME PCNA, LCP1, CCND2 ADRA2C 4150/4885PTGS2 3216/4885HRH1 4223/4885

“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.