Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7178384

CC(=Nc1c(C(C)C)cc(C)cc1C(C)C)c1cc(C)cc(C(C)=Nc2c(C(C)C)cc(C)cc2C(C)C)n1.[Cl-].[Cl-].[Cl-].[Co+3]

nearest known ligand 0.30

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 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 1/20 0.30
▸ SLC6A2 known ✓ P23975 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR2B P41595 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 SCHEMBL7185534 0.97 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7176628 0.97 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7179230 0.97 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7181069 0.97 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7179417 0.97 TRPA1 (0.30) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7180442 0.92 GABRA1 (0.34) —
Hydrochloric Acid SCHEMBL7177727 0.91 GABRA1 (0.35) —
Hydrochloric Acid SCHEMBL7176822 0.89 GABRA1 (0.32) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL7175293 0.89 GABRA1 (0.34) —
Hydrochloric Acid SCHEMBL7174203 0.89 GABRA1 (0.34) —

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