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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 8/20 | 0.37 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.35 |
| ▸ | NAMPT known ✓ | P43490 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | PDE8A | O60658 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | PDE8B | O95263 | 1/20 | 0.37 |
| ▸ | PDE6A | P16499 | 1/20 | 0.37 |
| ▸ | PDE6G | P18545 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE6B | P35913 | 1/20 | 0.37 |
| ▸ | PDE6C | P51160 | 1/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16476730 | 0.99 | MAPK1 (0.42) | MAPK1HSD17B10MAPTKMT2ACHRM3 | |
| SCHEMBL16463187 | 0.99 | MAPK1 (0.42) | MAPK1HSD17B10MAPTKMT2ACHRM3 | |
| SCHEMBL16476733 | 0.91 | CHRM3 (0.35) | MAPK1HSD17B10MAPTKMT2ACHRM3 | |
| SCHEMBL16464310 | 0.91 | CHRM3 (0.35) | MAPK1HSD17B10MAPTKMT2ACHRM3 | |
| Hydrochloric Acid SCHEMBL1696191 | 0.90 | CHRM3 (0.40) | MAPTKMT2ACHRM3PDE2APDE6D | |
| Bromide SCHEMBL1696261 | 0.90 | CHRM3 (0.35) | MAPK1HSD17B10MAPTKMT2ACHRM3 | |
| SCHEMBL16908810 | 0.90 | CHRM3 (0.40) | MAPTKMT2ACHRM3PDE2APDE6D | |
| SCHEMBL16476728 | 0.90 | CHRM3 (0.40) | MAPTKMT2ACHRM3PDE2APDE6D | |
| SCHEMBL16476732 | 0.88 | PDE2A (0.37) | MAPTKMT2ACHRM3PDE2APDE6D | |
| Bromide SCHEMBL1696157 | 0.87 | PDE2A (0.36) | MAPTKMT2ACHRM3PDE2APDE6D |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585457-B1 | Alkaloid aminoester derivatives and medicinal composition thereof | CHIESI FARMA SPA (IT) | 2015-07-22 | — | — | EP | disclosed |
| US-8629160-B2 | Alkaloid aminoester derivatives and medicinal composition thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2014-01-14 | — | — | US | disclosed |
| EP-2585457-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011160918-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-29 | — | — | WO | disclosed |
| US-20110311461-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-22 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110311461-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHRM3, CHRM2, CHRM5 | CHRM3 1/4885CHRM2 2/4885CHRM1 4/4885 |
“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.