Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6807330

CCCC[C@@H](/C=C(\C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C.[Cl-].[H+]

nearest known ligand 0.56

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 5)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.56
MMP2 P08253 13/20 0.40
MMP3 P08254 13/20 0.40
PDF Q9HBH1 4/20 0.39
MMP1 P03956 1/20 0.35

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
SCHEMBL6670635 0.98 TUBB1 (0.58) TUBB1MMP2MMP3PDF
SCHEMBL58793 0.93 TUBB1 (0.60) TUBB1MMP2MMP3PDFMMP1
SCHEMBL13682035 0.93 TUBB1 (0.60) TUBB1MMP2MMP3PDFMMP1
SCHEMBL13848318 0.89 TUBB1 (0.61) TUBB1MMP2MMP3MMP1
SCHEMBL58029 0.89 TUBB1 (0.61) TUBB1MMP2MMP3MMP1
SCHEMBL6670504 0.85 TUBB1 (0.62) TUBB1MMP2MMP3MMP1
SCHEMBL6674531 0.85 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL6674523 0.85 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL6805382 0.85 TUBB1 (0.59) TUBB1MMP2MMP3PDFMMP1
SCHEMBL6671761 0.83 TUBB1 (0.51) TUBB1MMP2MMP3PDFMMP1

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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed

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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885MMP2 224/4885MMP3 136/4885

“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.