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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7183258

CCCc1cc(C)cc(CCC)c1N=C(C)c1cc(C)cc(C(C)=Nc2c(CCC)cc(C)cc2CCC)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.33

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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 5)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32

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 SCHEMBL7180669 0.97 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7176561 0.97 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7173120 0.97 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7172378 0.97 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7180970 0.97 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7172217 0.93 NOS3 (0.30) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7176473 0.92 — —
Hydrochloric Acid SCHEMBL7185415 0.91 NOS2 (0.36) NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7175905 0.90 NOS3 (0.30) NOS3NOS1NOS2ALDH1A1HTT
Hydrochloric Acid SCHEMBL7182125 0.90 NOS3 (0.30) NOS3NOS1NOS2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 — — EP disclosed