Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603768

C/C(=N\c1cccc2ccccc12)c1cccc(/C(C)=N/c2cccc3ccccc23)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.45

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
POLB P06746 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 10/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40

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 SCHEMBL6419075 1.00 POLB (0.45) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL5354574 0.97 SIGMAR1 (0.46) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL5358995 0.97 SIGMAR1 (0.46) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL5354775 0.89 POLB (0.45) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL5354773 0.89 POLB (0.45) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL14280783 0.83 SIGMAR1 (0.42) KMT2ASIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL14444799 0.82 SIGMAR1 (0.39) POLBAGTR1KMT2ASIGMAR1CYP1A2
SCHEMBL7053627 0.82 SIGMAR1 (0.48) POLBAGTR1KMT2ASIGMAR1F2
SCHEMBL7053624 0.82 SIGMAR1 (0.48) POLBAGTR1KMT2ASIGMAR1F2
SCHEMBL5845665 0.82 SLC22A2 (0.39) POLBAGTR1KMT2ASIGMAR1CYP1A2

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
EP-1562705-A4 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1562705-A2 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY, INC. (US) 2005-08-17 EP disclosed
US-6894180-B2 Coordination catalysts such as 2,6-(bis-1-(1-indanylimino)-ethyl)pyridine iron chloride complexes used for addition polymerization FINA TECHNOLOGY, INC. (US) 2005-05-17 US disclosed
US-20040138055-A1 Catalyst structure for olefin polymerization FINA TECHNOLOGY, INC. 2004-07-15 US disclosed
WO-2004047972-A2 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY, INC. (US) 2004-06-10 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 (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-20040138055-A1 Catalyst structure for olefin polymerization CPNE4, PPOX, AOC2 POLB 856/4885AGTR1 4301/4885KMT2A 1020/4885

“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.