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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 13/20 | 0.57 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9084725 | 0.77 | FDPS (0.71) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL9082964 | 0.75 | FDPS (0.67) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL8703776 | 0.74 | FDPS (1.00) | FDPSLMNAADRB3PDE4DPDE3A | |
| SCHEMBL9806697 | 0.73 | FDPS (0.65) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL8706931 | 0.72 | FDPS (0.97) | FDPSLMNAADRB3PDE4DPDE3A | |
| SCHEMBL6890158 | 0.72 | FDPS (0.63) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL9806694 | 0.69 | FDPS (0.90) | FDPSLMNAADRB3PDE4DPDE3A | |
| SCHEMBL8706934 | 0.68 | FDPS (0.79) | FDPSGGPS1LMNA | |
| Hydrochloric Acid SCHEMBL9821293 | 0.68 | HTT (0.41) | LMNA | |
| SCHEMBL9794690 | 0.68 | FDPS (0.65) | FDPSLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869471-A | Methods for the treatment of arthritis using phosphonates and NSAIDS | THE PROCTOR & GAMBLE COMPANY (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0650361-A1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0642517-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS, FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1994000130-A1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1994-01-06 | — | — | WO | disclosed |
| WO-1993024494-A1 | QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS, FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |