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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5092790 | 0.94 | SIGMAR1 (0.56) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Iodide SCHEMBL5086811 | 0.94 | SIGMAR1 (0.56) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL5178984 | 0.90 | TRPA1 (0.50) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL516365 | 0.86 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL5086675 | 0.86 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL5337251 | 0.81 | SIGMAR1 (0.50) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL515994 | 0.80 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Iodide SCHEMBL5084931 | 0.80 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL5093241 | 0.80 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Fluoride Ion SCHEMBL4615583 | 0.80 | SIGMAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214386-A1 | Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-09-04 | — | — | US | disclosed |
| US-3992370-A | 1,1-Dichloro-1a,1b-dihydrodibenzo(b,f)cycloprop(d)azepine-6(1H)-carboxaldehyde | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-11-16 | — | — | US | disclosed |