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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8498316 | 0.98 | MEN1 (0.33) | MEN1TSHRKMT2A | |
| Iodide SCHEMBL8500685 | 0.97 | MEN1 (0.33) | MEN1TSHRKMT2A | |
| Iodide SCHEMBL8468039 | 0.97 | MEN1 (0.33) | MEN1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL8466870 | 0.80 | — | — | |
| Iodide SCHEMBL7861013 | 0.76 | MEN1 (0.33) | MEN1TSHRKMT2A | |
| SCHEMBL7797082 | 0.72 | MMP2 (0.37) | TSHR | |
| Hydrochloric Acid SCHEMBL8501863 | 0.72 | — | — | |
| Bromide SCHEMBL9545918 | 0.70 | — | — | |
| SCHEMBL8465793 | 0.70 | — | — | |
| Iodide SCHEMBL8465241 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643716-B1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5753634-A | TREATING OR PREVENTING ARTHRITIS AND OSTEOPOROSIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0643716-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993024499-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |