Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7238543

CC1C([Ti+2](C)(C)NC(=O)C2CCCCC2)=Cc2c1c1ccccc1c1ccccc21.[Cl-].[Cl-].[SiH4]

nearest known ligand 0.37

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 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
P2RX7 Q99572 2/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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 SCHEMBL7239359 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7247941 0.79 RAB9A (0.32) SMN1; SMN2HPGDGAAKMT2AHDAC3
Hydrochloric Acid SCHEMBL7242340 0.78 P2RX7 (0.38) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7246995 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7241242 0.77 SMN1; SMN2 (0.38) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7257670 0.74
Hydrochloric Acid SCHEMBL7041468 0.73 SMN1; SMN2 (0.33) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7040765 0.73 SMN1; SMN2 (0.33) SMN1; SMN2HPGDP2RX7GAAKMT2A
Hydrochloric Acid SCHEMBL7173163 0.72
Hydrochloric Acid SCHEMBL7037371 0.70 TSHR (0.35) SMN1; SMN2HPGDP2RX7GAAKMT2A

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-6630545-B2 Polymerization catalyst of a metal complex with anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, a cocatalyst and a butadiene or pentadiene THE DOW CHEMICAL COMPANY 2003-10-07 US disclosed
US-20020037981-A1 Polymerization catalyst of a metal complex with anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, a cocatalyst and a butadiene or pentadiene DOW CHEMICAL COMPANY 2002-03-28 US disclosed