Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3261602

[Cl-].[Cl-].[Ti+2]N(Cc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12)c1ccccc1

nearest known ligand 0.35

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 2/20 0.30
SLC6A3 known ✓ Q01959 2/20 0.30
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 5/20 0.33
CYP2C19 P33261 5/20 0.33
CYP2D6 P10635 4/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM1A O60341 1/20 0.32
CYP2C9 P11712 4/20 0.31
HSD17B10 Q99714 3/20 0.31
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL3262855 0.82 CYP1A2 (0.34) KMT2AALDH1A1KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3258604 0.81 KMT2A (0.33) KMT2AALDH1A1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL3264206 0.81 KDM4E (0.35) KMT2AALDH1A1KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL3260135 0.80 KMT2A (0.30) KMT2A
SCHEMBL3261604 0.80 KMT2A (0.33) KMT2AALDH1A1KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3260131 0.78 KDM4E (0.30) KDM4EMAPTTDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3261953 0.76 HTR2A (0.35)
Hydrochloric Acid SCHEMBL3215554 0.75 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ELMNAMAPK1
SCHEMBL3200642 0.74 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EMAPK1MAPT
Hydrochloric Acid SCHEMBL6676382 0.73 PNMT (0.36) KMT2AKDM4EMAPTTDP1CYP1A2

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-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
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