Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2579274

COc1ccc(N2CCN(c3ccc(OC)cc3)C2=S)cc1.COc1ccc(N2CCN(c3ccc(OC)cc3)C2=S)cc1.[Au+].[Cl-]

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL2579648 0.96 HTR3E (0.48) GAAHTR3EHTR3BADRB1HTR3A
Thiourea SCHEMBL2584115 0.87 POLB (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL16789887 0.79 HTR3E (0.52) GAAHTR3EHTR3BADRB1HTR3A
Trifluoromethanesulfonic Acid SCHEMBL2584928 0.78 NOX4 (0.50) GAARAB9ACA12CA1CA2
SCHEMBL11178945 0.76 SIGMAR1 (0.54) GAAHTR3EHTR3BADRB1HTR3A
SCHEMBL16786533 0.73 ACHE (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2884739 0.70 HTR3E (0.51) GAAHTR3EHTR3BADRB1HTR3A
SCHEMBL12427204 0.70 NOX4 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28599511 0.70 HTR3E (0.73) GAAHTR3EHTR3BADRB1HTR3A
SCHEMBL29656856 0.70 HTR3E (0.73) GAAHTR3EHTR3BADRB1HTR3A

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-8722897-B2 Metal complexes of thiourea and derivatives as metal delivering anti-cancer and anti-inflammatory agents GOLDPORP PHARMA LIMITED (CN) 2014-05-13 US claimed
US-20110269730-A1 Metal Complexes of Thiourea and Derivatives as Metal Delivering Anti-Cancer and Anti-Inflammatory Agents GOLDPORP PHARMA LIMITED (CN) 2011-11-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269730-A1 Metal Complexes of Thiourea and Derivatives as Metal Delivering Anti-Cancer and Anti-Inflammatory Agents CLIC1, SLC30A5, TIA1 GAA 2482/4885HTR3E 3637/4885HTR3B 4099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.