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 | 12/20 | 0.40 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.38 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | PDE6D | O43924 | 2/20 | 0.40 |
| ▸ | PDE8A | O60658 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | PDE9A | O76083 | 2/20 | 0.40 |
| ▸ | PDE8B | O95263 | 2/20 | 0.40 |
| ▸ | PDE6A | P16499 | 2/20 | 0.40 |
| ▸ | PDE6G | P18545 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE6B | P35913 | 2/20 | 0.40 |
| ▸ | PDE6C | P51160 | 2/20 | 0.40 |
| ▸ | PDE1A | P54750 | 2/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12072381 | 0.99 | CHRM3 (0.41) | CHRM3PDE2APDE6DPDE8APDE5A | |
| Hydrochloric Acid SCHEMBL2484591 | 0.94 | CHRM3 (0.41) | CHRM3PDE2APDE6DPDE8APDE5A | |
| Hydrochloric Acid SCHEMBL2484729 | 0.94 | CHRM3 (0.41) | CHRM3PDE2APDE6DPDE8APDE5A | |
| Hydrochloric Acid SCHEMBL2487889 | 0.94 | CHRM3 (0.41) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL16649399 | 0.93 | CHRM3 (0.42) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL2483001 | 0.93 | CHRM3 (0.42) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL13240903 | 0.93 | CHRM3 (0.42) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL2512969 | 0.93 | CHRM3 (0.42) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL13240982 | 0.93 | CHRM3 (0.42) | CHRM3PDE2APDE6DPDE8APDE5A | |
| SCHEMBL12072360 | 0.93 | NPSR1 (0.41) | CHRM3PDE2APDE6DPDE8APDE5A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492548-B2 | Alkaloid aminoester derivatives and medicinal compositions thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-07-23 | — | — | US | claimed |
| EP-2585459-B1 | Alkaloid aminoester derivatives and medicinal compositions thereof | CHIESI FARMA SPA (IT) | 2015-01-07 | — | — | EP | disclosed |
| US-8492548-B2 | Alkaloid aminoester derivatives and medicinal compositions thereof | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-07-23 | — | — | US | disclosed |
| EP-2585459-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161018-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-29 | — | — | WO | disclosed |
| US-20110311458-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS 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-20110311458-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | CHRM3, CHRM5, CHRM2 | CHRM3 1/4885CHRM2 3/4885CHRM1 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.