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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 14/20 | 0.36 |
| ▸ | TACR2 | P21452 | 3/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630815 | 0.99 | TACR1 (0.36) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8016030 | 0.82 | TACR1 (0.35) | TACR1TACR2TACR3SLC6A4 | |
| Water SCHEMBL8840276 | 0.82 | CCR5 (0.46) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7764281 | 0.81 | CCR5 (0.46) | TACR1TACR2TACR3CCR5 | |
| Water SCHEMBL8840295 | 0.81 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| Water SCHEMBL7744617 | 0.81 | TACR1 (0.34) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| SCHEMBL8991942 | 0.81 | TACR1 (0.53) | TACR1TACR2TACR3 | |
| SCHEMBL4631689 | 0.81 | TACR1 (0.35) | TACR1TACR2TACR3ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7751880 | 0.80 | TACR1 (0.39) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4630713 | 0.80 | TACR1 (0.39) | TACR1TACR2TACR3CYP2D6 |
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 |