Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3668626

CC1=C(C)C(C)(C)C([Ti+](Oc2ccccc2C(C)C)Oc2ccccc2C(C)C)=C1C.[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 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.32
SLC6A3 known ✓ Q01959 2/20 0.32
NISCH Q9Y2I1 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 SCHEMBL3672197 0.82 MEN1 (0.33) NISCHTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL618964 0.81 KDM4E (0.31)
Hydrochloric Acid SCHEMBL346593 0.77 ADRA2A (0.34) NISCHADRA2AADRA2BADRA2CL3MBTL1
Hydrochloric Acid SCHEMBL8762954 0.75 CA4 (0.30)
Hydrochloric Acid SCHEMBL15122062 0.70 BACE1 (0.36) CYP1A2CYP2C19
SCHEMBL3752527 0.70 SLC6A2 (0.35) NISCHADRA2AADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL5729183 0.65
Hydrochloric Acid SCHEMBL7931040 0.64 TSHR (0.40) SLC6A2SLC6A3TSHRMEN1KMT2A
SCHEMBL4575432 0.62 P2RX3 (0.58) NISCHADRA2AADRA2BADRA2CSLC6A2
SCHEMBL31257131 0.62 CA1 (0.60) ADRA2BCYP1A2CYP2C19TSHRP2RX3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225251-B1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SABIC SK NEXLENE COMPANY PTE LTD (SG) 2015-12-23 EP disclosed
US-8344081-B2 Transition metal complexes, catalysts composition containing the same, and process for preparing ethylene homopolymers or copolymers of ethylene and alpha-olefins using the same SK INNOVATION CO., LTD. (KR) 2013-01-01 US disclosed
US-20100298512-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK ENERGY CO., LTD. (KR) 2010-11-25 US disclosed
EP-2225251-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK Energy Co., Ltd. (KR) 2010-09-08 EP disclosed
WO-2009084805-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK ENERGY CO., LTD. (KR) 2009-07-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298512-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME MCM4, ESR1, SEM1 SLC6A2 4134/4885SLC6A3 4335/4885NISCH 2559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.