Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9229934

COc1ccc2c(c1)C(C(C)(C)C1=CC=CC1)c1cc(OC)ccc1-2.[Cl-].[Cl-].[Zr+2]

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33

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 SCHEMBL9231643 0.82
Hydrochloric Acid SCHEMBL9229867 0.81 CYP19A1 (0.32) GAACYP19A1CYP11B1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9232040 0.81 NPC1 (0.31) ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL9231715 0.81
Hydrochloric Acid SCHEMBL9229955 0.81
Hydrochloric Acid SCHEMBL7939282 0.78
Hydrochloric Acid SCHEMBL6300517 0.77
Hydrochloric Acid SCHEMBL7938762 0.77 MEN1 (0.33) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL1453000 0.77 PGR (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9230171 0.77 ALDH1A1 (0.33) ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP claimed