Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4446458

C(=C(c1ccccc1)P(C1CCCCC1)C1CCCCC1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]

nearest known ligand 0.40

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 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP11B2 P19099 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PRMT1 Q99873 1/20 0.33
THRB P10828 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ESR1 P03372 1/20 0.32

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 SCHEMBL4451181 0.82 RAB9A (0.38) HPGDMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL4458888 0.79 CHRNB2 (0.33) LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL4452408 0.76 KDM1A (0.47) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL15364558 0.76 KDM1A (0.41) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL15364556 0.76 KDM1A (0.41) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL15364480 0.73 KDM1A (0.42) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL15364479 0.73 KDM1A (0.42) HPGDMEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL4452464 0.71 AKR1C1 (0.42) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL11795436 0.69 HPGD (0.43) HPGDMEN1KMT2AAKR1C1CYP19A1
SCHEMBL11795427 0.69 HPGD (0.43) HPGDMEN1KMT2AAKR1C1CYP19A1

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-7595413-B2 Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2009-09-29 US disclosed
EP-1958969-A1 A phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same Petrochina Company Limited (CN) 2008-08-20 EP disclosed
US-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2008-08-14 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-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PI4K2B, PI4K2A, CPNE4 HPGD 4822/4885MEN1 2468/4885KMT2A 324/4885

“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.