Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5833496

CC(=Nc1ccccc1C(C)C)c1cccc(C(C)=Nc2ccccc2C(C)C)n1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.44

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
SLC6A2 known ✓ P23975 1/20 0.36
SIGMAR1 Q99720 7/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KDM4E B2RXH2 2/20 0.38
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRB2 P47870 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36

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 SCHEMBL3291942 0.97 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL3291945 0.97 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL4618223 0.97 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL4618229 0.97 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL30635011 0.97 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5693660 0.95 SIGMAR1 (0.45) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5586865 0.95 SIGMAR1 (0.45) SIGMAR1NOS3NOS1NOS2GRIN2D
Hydrochloric Acid SCHEMBL8091098 0.94 NOS3 (0.46) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL5833498 0.91 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2GRIN2D
SCHEMBL14792876 0.90 SIGMAR1 (0.41) SIGMAR1NOS3NOS1NOS2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001964-B2 Selective isomerization and linear dimerization of olefins using cobalt catalysts CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-02-21 US disclosed
US-6911505-B2 Selective isomerization and linear dimerization of olefins using cobalt catalysts CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-06-28 US disclosed
US-20040068154-A1 Selective isomerization and linear dimerization of olefins using cobalt catalysts CHEVRON PHILLIPS CHEMICAL COMPANY 2004-04-08 US disclosed
US-20040068072-A1 Selective isomerization and linear dimerization of olefins using cobalt catalysts CHEVRON PHILLIPS CHEMICAL COMPANY 2004-04-08 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-20040068154-A1 Selective isomerization and linear dimerization of olefins using cobalt catalysts PPOX, OXER1, OCIAD1 SLC6A2 4153/4885SIGMAR1 1112/4885NOS3 1279/4885

“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.