Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5851607

C(=N[C@@H]1CCCC[C@H]1N=Cc1ccccn1)c1ccccn1.[Cl-].[Cl-].[Pd+2]

nearest known ligand 0.49

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
NR4A1 P22736 1/20 0.49
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 2/20 0.47
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
ATM Q13315 1/20 0.45
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.41
G6PC1 P35575 1/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TOP2A P11388 1/20 0.39

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
SCHEMBL13276251 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL5852681 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL29774561 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL4257034 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL4257039 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL14114325 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL18934346 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
SCHEMBL5851382 0.98 NR4A1 (0.50) NR4A1ALDH1A1PKML3MBTL1MAOA
Hydrochloric Acid SCHEMBL5851417 0.97 NR4A1 (0.49) NR4A1ALDH1A1PKML3MBTL1MAOA
Bromide SCHEMBL5923769 0.95 NR4A1 (0.47) NR4A1ALDH1A1PKML3MBTL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148174-B2 Non-metallocene catalyst system CELANESE VENTURES GMBH (DE) 2006-12-12 US disclosed
US-20060135352-A1 Process for polymerizing olefins with non-metallocene catalysts CELANESE VENTURES GMBH (DE) 2006-06-22 US disclosed
US-20050037918-A1 Non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-02-17 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-20050037918-A1 Non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins NOTUM, CYP4F12, CYP4F2 NR4A1 796/4885ALDH1A1 663/4885PKM 414/4885
US-20060135352-A1 Process for polymerizing olefins with non-metallocene catalysts NOTUM, CPNE4, WASF2 NR4A1 219/4885ALDH1A1 1407/4885PKM 250/4885

“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.