Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7927362

O=C(O[Ti+2]C1CCCC2=C1CC1=C2CCCC1)c1ccc(F)cc1.[Cl-].[Cl-]

nearest known ligand 0.36

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
ACHE known ✓ P22303 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.31
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
DHODH Q02127 1/20 0.31
RBBP9 O75884 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7924742 0.95 MEN1 (0.37) MEN1KMT2AMAPTCASP3SENP8
Hydrochloric Acid SCHEMBL7919305 0.88 LMNA (0.36) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL7927639 0.83 LMNA (0.34) MEN1KMT2AMAPTKDM4EHTT
Hydrochloric Acid SCHEMBL7927366 0.80 KDM4E (0.38) MEN1KMT2AMAPTCASP3SENP8
Hydrochloric Acid SCHEMBL7928513 0.79 MEN1 (0.33) MEN1KMT2AMAPTCASP3SENP8
Hydrochloric Acid SCHEMBL7925867 0.79 KMT2A (0.35) MEN1KMT2AMAPTCASP3SENP8
SCHEMBL7928322 0.78 MEN1 (0.33) MEN1KMT2AMAPTCASP3SENP8
Hydrochloric Acid SCHEMBL7927368 0.77
Hydrochloric Acid SCHEMBL7930997 0.77
Hydrochloric Acid SCHEMBL7925793 0.77

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed