Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3215554

[Cl-].[Cl-].[Ti+2]OCc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12

nearest known ligand 0.35

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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 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
ALDH1A1 P00352 7/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM1A O60341 1/20 0.35
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 3/20 0.33
TDP2 O95551 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 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
SCHEMBL3200642 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAATAAR1
Hydrochloric Acid SCHEMBL3202403 0.75 KDM4E (0.32) ALDH1A1KDM4EGAAHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL3261602 0.75 KMT2A (0.35) ALDH1A1MAPTKDM4EGAATAAR1
Hydrochloric Acid SCHEMBL3264206 0.74 KDM4E (0.35) ALDH1A1MAPTKDM4EGAATAAR1
SCHEMBL16481156 0.73 KDM1A (0.48) ALDH1A1MAPTKDM4EGAAKDM1A
SCHEMBL6675754 0.73 KDM1A (0.53) ALDH1A1MAPTKDM4EKDM1AHSD17B10
Hydrochloric Acid SCHEMBL3198540 0.73 HTR2A (0.39) MAPTCYP1A2HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL3202472 0.72 KDM1A (0.34) ALDH1A1MAPTKDM4EKDM1AHSD17B10
Hydrochloric Acid SCHEMBL3192580 0.71 MAPT (0.33) ALDH1A1MAPTKDM4EKDM1AMAPK1
Hydrochloric Acid SCHEMBL3212259 0.71 C5AR1 (0.34) ALDH1A1MAPTKDM4EGAAKDM1A

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
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed