Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7919308

O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.38

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 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.33
CHRM1 known ✓ P11229 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
KMT2A Q03164 5/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.36
MCL1 Q07820 1/20 0.36
SLC6A4 P31645 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL7927636 0.94 TSHR (0.38) KMT2AMAPTSMN1; SMN2F2LMNA
Hydrochloric Acid SCHEMBL7927366 0.86 KDM4E (0.38) KMT2AMAPTLMNAMEN1ATM
Hydrochloric Acid SCHEMBL7924563 0.79 LMNA (0.34) KMT2AMAPTSMN1; SMN2F2LMNA
Hydrochloric Acid SCHEMBL7919305 0.79 LMNA (0.36) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL7928350 0.76 LMNA (0.33) KMT2AMAPTSMN1; SMN2F2LMNA
Hydrochloric Acid SCHEMBL7927217 0.73 F2 (0.38) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL7927345 0.70 TSHR (0.39) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL7924736 0.70 TSHR (0.39) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL7927651 0.69 TSHR (0.38) KMT2AMAPTSMN1; SMN2F2LMNA
Hydrochloric Acid SCHEMBL7927362 0.66 MEN1 (0.36) KMT2AMAPTSLC6A4SLC6A3MEN1

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