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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 3/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 7/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8314434 | 0.99 | CCR5 (0.48) | CCR5TACR2TACR1 | |
| Hydrochloric Acid SCHEMBL8953818 | 0.89 | CCR5 (0.37) | CCR5TACR2TACR1 | |
| SCHEMBL8970472 | 0.87 | CCR5 (0.40) | CCR5TACR2TACR1 | |
| SCHEMBL9117577 | 0.87 | CCR5 (0.39) | CCR5TACR2TACR1 | |
| Hydrochloric Acid SCHEMBL8953619 | 0.87 | TACR1 (0.42) | CCR5TACR2TACR1 | |
| SCHEMBL8315849 | 0.86 | TACR1 (0.43) | CCR5TACR2TACR1 | |
| SCHEMBL8119238 | 0.81 | CCR5 (0.42) | CCR5TACR2TACR1 | |
| SCHEMBL8364651 | 0.80 | CCR5 (0.46) | CCR5TACR2TACR1 | |
| Iodide SCHEMBL8125149 | 0.80 | CCR5 (0.42) | CCR5TACR2TACR1 | |
| Hydrochloric Acid SCHEMBL8366734 | 0.78 | CCR5 (0.57) | CCR5TACR2TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-6211850-A | — | — | None | — | — | JP | disclosed |
| JP-10175976-A | — | — | None | — | — | JP | disclosed |
| JP-H10175976-A | MEDICINAL AGENT CONTAINING QUATERNARY BASIC AMIDE | SANOFI SA | 1998-06-30 | — | — | JP | disclosed |
| US-5583134-A | QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM | SANOFI (FR) | 1996-12-10 | — | — | US | disclosed |
| US-5554763-A | TACHYKININ ANTAGONISTS | SANOFI (FR) | 1996-09-10 | — | — | US | disclosed |
| JP-H06211850-A | QUATERNARY BASIC AMIDE, ITS PRODUCING AND PHARMACEUTICAL COMPOSITION CONTAINING IT | ELF SANOFI | 1994-08-02 | — | — | JP | disclosed |