Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5951962

CC1=C(c2cccc3ccc4ccccc4c23)c2ccccc2C1[Zr+2]1(C2C(C)=C(c3cccc4ccc5ccccc5c34)c3ccccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.33

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 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
SLC6A4 P31645 2/20 0.31
DRD2 P14416 1/20 0.31
CYP2A6 P11509 1/20 0.30
MTNR1A P48039 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 SCHEMBL2118017 0.89 CNR1 (0.35) MAPK1RAB9AKDM1AALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL5951873 0.84 SLC6A4 (0.34) SLC6A4DRD2
Hydrochloric Acid SCHEMBL5952974 0.81 DRD2 (0.30) SLC6A4DRD2
Hydrochloric Acid SCHEMBL5952377 0.81 HTR1A (0.30)
Hydrochloric Acid SCHEMBL5953226 0.80 SLC6A4 (0.34) SLC6A4DRD2
Hydrochloric Acid SCHEMBL5951065 0.80 DRD2 (0.32) SLC6A4DRD2
Hydrochloric Acid SCHEMBL7800515 0.79 HSD17B10 (0.36) HPGDHSD17B10CYP3A4TSHRMAPK1
SCHEMBL7808023 0.75 HPGD (0.35) HPGDHSD17B10CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL2862429 0.73 SLC6A4 (0.35) HPGDMAPK1RAB9AL3MBTL1KDM1A
Hydrochloric Acid SCHEMBL8604890 0.73 SLC6A4 (0.36) HPGDKDM1AALDH1A1SLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HPGD 132/4885HSD17B10 535/4885CYP3A4 39/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HPGD 159/4885HSD17B10 547/4885CYP3A4 37/4885

“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.