Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21111503

COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.54
▸ TOP1 P11387 4/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ CYCS P99999 3/20 0.51
▸ ENPP2 Q13822 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42

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 SCHEMBL5706254 0.97 TERT (0.54) TERTTOP1ABCG2CYCSENPP2
Hydrochloric Acid SCHEMBL31122235 0.97 TERT (0.54) TERTTOP1ABCG2CYCSENPP2
SCHEMBL949511 0.97 TERT (0.57) TERTTOP1ABCG2CYCSENPP2
SCHEMBL29414382 0.97 TERT (0.57) TERTTOP1ABCG2CYCSENPP2
SCHEMBL2338257 0.95 TERT (0.55) TERTTOP1ABCG2CYCSENPP2
SCHEMBL22265228 0.95 TERT (0.55) TERTTOP1ABCG2CYCSENPP2
SCHEMBL20856304 0.95 TERT (0.59) TERTTOP1ABCG2CYCSENPP2
Hydrochloric Acid SCHEMBL15768782 0.95 TERT (0.55) TERTTOP1ABCG2CYCSENPP2
SCHEMBL8430292 0.95 TERT (0.55) TERTTOP1ABCG2CYCSENPP2
SCHEMBL30539978 0.95 TERT (0.55) TERTTOP1ABCG2CYCSENPP2

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-11204445-B2 Ophthalmic lens comprising an encapsulated light-absorbing additive ESSILOR INTERNATIONAL (FR) 2021-12-21 — — US disclosed
US-20190212473-A1 Ophthalmic Lens Comprising an Encapsulated Light-Absorbing Additive ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2019-07-11 — — US disclosed
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