Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9547759

C[Si](C)(C)C1=C([Ti+](C2=C([Si](C)(C)C)C=CC2)c2ccccc2C(F)(F)F)CC=C1.[Cl-]

nearest known ligand 0.32

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 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
NOTUM Q6P988 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 SCHEMBL9005130 0.84 HSD11B1 (0.31) HSD11B1
Thiocyanic Acid SCHEMBL9004793 0.75
SCHEMBL7907713 0.75 MEN1 (0.30)
Trifluoroacetic Acid SCHEMBL10384257 0.73 KDM4E (0.33)
Hydrochloric Acid SCHEMBL10384331 0.71 KDM4E (0.30)
Hydrochloric Acid SCHEMBL9547761 0.66 HTR2C (0.31) HSD11B1
Thiocyanic Acid SCHEMBL9004773 0.63
Trifluoroacetic Acid SCHEMBL7937712 0.61 ALDH1A1 (0.32)
SCHEMBL30626928 0.60 HSD11B1 (0.42) HSD11B1NOTUM
SCHEMBL2295972 0.60 HSD11B1 (0.42) HSD11B1NOTUM

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
EP-0256981-B1 TITANOCENES AND THEIR USE CIBA-GEIGY AG (CH) 1993-02-17 EP claimed
US-4963470-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1990-10-16 US claimed