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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 11/20 | 0.51 |
| ▸ | CCR5 | P51681 | 7/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.40 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CCR7 | P32248 | 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 | |
|---|---|---|---|---|
| SCHEMBL13148340 | 0.99 | CCR2 (0.51) | CCR2CCR5CXCR3CXCR5NPC1 | |
| Iodide SCHEMBL17555069 | 0.98 | CCR2 (0.51) | CCR2CCR5CXCR3CXCR5NPC1 | |
| Hydrochloric Acid SCHEMBL313873 | 0.88 | CCR2 (0.63) | CCR2CCR5CXCR3CXCR5 | |
| SCHEMBL13148336 | 0.87 | CCR2 (0.64) | CCR2CCR5CXCR3CXCR5 | |
| Iodide SCHEMBL17555094 | 0.87 | CCR2 (0.63) | CCR2CCR5CXCR3CXCR5 | |
| Hydrochloric Acid SCHEMBL2902553 | 0.82 | CCR2 (0.53) | CCR2CCR5CXCR3CXCR5CCR7 | |
| SCHEMBL13148338 | 0.81 | CCR2 (0.53) | CCR2CCR5CXCR3CXCR5 | |
| Hydrochloric Acid SCHEMBL313568 | 0.81 | CCR5 (0.53) | CCR2CCR5CXCR3CXCR5 | |
| SCHEMBL17571822 | 0.81 | CCR5 (0.50) | CCR2CCR5NPC1NFKB1RAB9A | |
| Iodide SCHEMBL5178933 | 0.81 | CCR2 (0.53) | CCR2CCR5CXCR3CXCR5 |
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 8 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 |
| US-8168829-B2 | Synthesis of quaternary salt compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-05-01 | — | — | US | disclosed |
| US-8093428-B2 | Synthesis of quaternary salt compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-01-10 | — | — | US | disclosed |
| US-20090112003-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-30 | — | — | US | disclosed |
| US-20090112004-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-30 | — | — | 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 (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 | CCR2 1/4885CCR5 7/4885CXCR3 13/4885 |
| US-20090112004-A1 | SYNTHESIS OF QUATERNARY SALT COMPOUNDS | CCR2, CCR1, CCL11 | CCR2 1/4885CCR5 7/4885CXCR3 13/4885 |
“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.