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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 14/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL8840276 | 0.87 | CCR5 (0.46) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7764281 | 0.87 | CCR5 (0.46) | TACR1TACR2TACR3CCR5 | |
| Water SCHEMBL8840295 | 0.87 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8991942 | 0.86 | TACR1 (0.53) | TACR1TACR2TACR3 | |
| Water SCHEMBL7749218 | 0.86 | TACR1 (0.43) | TACR1TACR2TACR3CCR5 | |
| Water SCHEMBL7749221 | 0.86 | TACR1 (0.43) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL9097856 | 0.86 | TACR1 (0.44) | TACR1TACR2TACR3CCR5 | |
| Water SCHEMBL8840361 | 0.85 | TACR1 (0.47) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8991937 | 0.85 | TACR1 (0.48) | TACR1TACR2TACR3 | |
| Water SCHEMBL7744617 | 0.85 | TACR1 (0.34) | TACR1TACR2TACR3CCR5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242637-B1 | USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-06-05 | — | — | US | disclosed |
| US-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |
| US-5977359-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |