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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 2/20 | 0.65 |
| ▸ | CCR2 | P41597 | 1/20 | 0.55 |
| ▸ | DHODH | Q02127 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | PYGL | P06737 | 7/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2908319 | 1.00 | CCR5 (0.65) | CCR5CCR2DHODHMAPTTP53 | |
| SCHEMBL313785 | 0.99 | CCR5 (0.66) | CCR5CCR2DHODHMAPTTP53 | |
| SCHEMBL313784 | 0.99 | CCR5 (0.66) | CCR5CCR2DHODHMAPTTP53 | |
| Iodide SCHEMBL3086683 | 0.98 | CCR5 (0.67) | CCR5CCR2DHODHMAPTTP53 | |
| Iodide SCHEMBL3086681 | 0.98 | CCR5 (0.67) | CCR5CCR2DHODHMAPTTP53 | |
| Hydrochloric Acid SCHEMBL2906196 | 0.90 | CCR2 (0.63) | CCR5CCR2DHODHMAPTTP53 | |
| Hydrochloric Acid SCHEMBL2906194 | 0.90 | CCR2 (0.63) | CCR5CCR2DHODHMAPTTP53 | |
| SCHEMBL2696192 | 0.88 | CCR2 (0.64) | CCR5CCR2DHODHMAPTTP53 | |
| SCHEMBL2696196 | 0.88 | CCR2 (0.64) | CCR5CCR2DHODHMAPTTP53 | |
| Iodide SCHEMBL17555092 | 0.88 | CCR2 (0.63) | CCR5CCR2DHODHMAPTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2212286-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | Janssen Pharmaceutica N.V. (BE) | 2010-08-04 | — | — | EP | claimed |
| US-20090112003-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-30 | — | — | US | claimed |
| US-20090112004-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-30 | — | — | US | claimed |
| WO-2009055519-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-04-30 | — | — | WO | claimed |
| EP-2212286-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | Janssen Pharmaceutica N.V. (BE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009055519-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-04-30 | — | — | WO | 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 (2 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-20090112003-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | CCR2, CCR1, CCL11 | CHRM1 2199/4885CCR5 7/4885CCR2 1/4885 |
| US-20090112004-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | CCR2, CCR1, CCL11 | CHRM1 2199/4885CCR5 7/4885CCR2 1/4885 |
“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.