Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3147260

Cc1cc(C)c([N+]2=CN(c3cc(C)cc(C(C)(C)C)c3O)CC2)c(C)c1.[Cl-]

nearest known ligand 0.42

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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 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ HSPA5 P11021 1/20 0.37
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA1 P00915 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 SCHEMBL3147267 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA2POLBTYR
Hydrochloric Acid SCHEMBL9900831 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CA2POLBTYR
Hydrochloric Acid SCHEMBL442699 0.73 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL14777373 0.68 — —
Hydrochloric Acid SCHEMBL1697483 0.68 MAPT (0.34) ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL29364506 0.66 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL5318298 0.66 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL38838 0.66 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2CA2POLBTYR
Butylated Hydroxytoluene SCHEMBL31217637 0.66 SMN1; SMN2 (0.95) ALDH1A1SMN1; SMN2CA2POLBTYR
Hydrochloric Acid SCHEMBL1609624 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582534-B1 Olefin polymerization catalyst and polymerization process ROHM & HAAS (US) 2010-02-10 — — EP disclosed
US-7098278-B2 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY (US) 2006-08-29 — — US disclosed
US-20060128911-A1 Olefin polymerization catalyst and polymerization process GOODALL BRIAN L 2006-06-15 — — US disclosed
US-7037987-B2 Olefin polymerization catalyst and polymerization process ROHN AND HAAS COMPANY (US) 2006-05-02 — — US disclosed
EP-1582534-A1 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY (US) 2005-10-05 — — EP disclosed
US-20050215738-A1 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY 2005-09-29 — — US disclosed
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