Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853244

CCCCCCCCCCCC(=O)N[Ti+2](C1=C(C)C(C)=C(C)C1C)[SiH](c1ccccc1)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.40

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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 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ASAH1 Q13510 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ACER2 Q5QJU3 1/20 0.39
P2RX7 Q99572 1/20 0.38
SOAT1 P35610 3/20 0.37
SOAT2 O75908 1/20 0.37
EP300 Q09472 1/20 0.37
FAAH O00519 1/20 0.36
CETP P11597 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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 SCHEMBL5855238 1.00 EPHX2 (0.40) EPHX2MEN1KMT2AASAH1ALDH1A1
Hydrochloric Acid SCHEMBL5854295 0.99 EPHX2 (0.38) EPHX2MEN1KMT2AASAH1ALDH1A1
Hydrochloric Acid SCHEMBL5853642 0.96 ALDH1A1 (0.35) EPHX2MEN1KMT2AASAH1ALDH1A1
Hydrochloric Acid SCHEMBL5854189 0.91 ALOX5 (0.35) MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL5854070 0.87 GAA (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL1645502 0.83 HSP90AA1 (0.36) EPHX2MEN1KMT2AP2RX7FAAH
Hydrochloric Acid SCHEMBL5853279 0.83 HSP90AA1 (0.36) EPHX2MEN1KMT2AP2RX7FAAH
Hydrochloric Acid SCHEMBL5853367 0.82 HSP90AA1 (0.34) MEN1KMT2AALDH1A1FAAHTRPV1
Hydrochloric Acid SCHEMBL5853269 0.81 SMN1; SMN2 (0.30)
Hydrochloric Acid SCHEMBL5854094 0.81 MAPK1 (0.42) MEN1KMT2AALDH1A1POLBLMNA

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-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed