Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12815641

[Cl-].[Cl-].[Cl-].[Ti+3]C1=C([Si](c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)(c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)c2cc(Cc3ccccc3)cc(Cc3ccccc3)c2)C(c2ccccc2)=CC1

nearest known ligand 0.35

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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CALM1 P0DP23 1/20 0.32
PTPN1 P18031 1/20 0.30

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 SCHEMBL12816114 0.84 CALM1 (0.33) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12815488 0.80 ALDH1A1 (0.31) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12815381 0.80 HPGD (0.33) CALM1
Hydrochloric Acid SCHEMBL12816089 0.79 ALDH1A1 (0.35) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12817914 0.77 RXRA (0.32)
Hydrochloric Acid SCHEMBL12816365 0.77 PDE4A (0.30)
Hydrochloric Acid SCHEMBL12816452 0.76 CALM1 (0.33) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12816372 0.75 RAB9A (0.37) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12825804 0.74 ALDH1A1 (0.35) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL12816197 0.73 CALM1 (0.31) CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012133936-A1 CATALYST FOR PRODUCING ETHYLENE-BASED POLYMER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133919-A1 PROCESS FOR PRODUCING CATALYST FOR PRODUCING ETHYLENIC POLYMER, CATALYST FOR PRODUCING ETHYLENIC POLYMER AND PROCESS FOR PRODUCING ETHYLENIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed