Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5854090

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf+](C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)[SiH](C)C.CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf+](C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)[SiH](C)C.[Cl-].[Cl-]

nearest known ligand 0.32

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 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31
DHFR P00374 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KDM4E B2RXH2 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 SCHEMBL1904294 0.82 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL7212489 0.82 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL4060835 0.79 ALDH1A1 (0.35) ENPP3ENPP1CA12CA1CA2
Hydrochloric Acid SCHEMBL28744080 0.78 ENPP3 (0.33) ENPP3ENPP1CA12CA1CA2
SCHEMBL3676185 0.77 ALDH1A1 (0.33) ENPP3ENPP1CA12CA1CA2
SCHEMBL4060837 0.77 CA12 (0.33) ENPP3ENPP1CA12CA1CA2
Hydrochloric Acid SCHEMBL3683368 0.76 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
Hydrochloric Acid SCHEMBL3691034 0.76 ALDH1A1 (0.33) ENPP3ENPP1CA12CA1CA2
Fluoride SCHEMBL1131272 0.76 ALDH1A1 (0.33) ENPP3ENPP1CA12CA1CA2
Hydrochloric Acid SCHEMBL1044599 0.76 HTR1A (0.32) ENPP3ENPP1CA12CA1CA2

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
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
US-5990242-A Propylene/ethylene-α-olefin block copolymer and process for processing the same SUMITOMO CHEMICAL CO., LTD. (JP) 1999-11-23 US disclosed