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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18740611 | 0.95 | HDAC8 (0.42) | HDAC8PABPC1APOBEC3AEIF4HAPOBEC3G | |
| Fluoride Ion SCHEMBL18740610 | 0.94 | HDAC8 (0.46) | HDAC8PABPC1APOBEC3AEIF4HAPOBEC3G | |
| Hydrochloric Acid SCHEMBL18730818 | 0.86 | HDAC8 (0.36) | HDAC8PABPC1APOBEC3AEIF4HAPOBEC3G | |
| Hydrochloric Acid SCHEMBL18730815 | 0.81 | HDAC8 (0.36) | HDAC8PABPC1APOBEC3AEIF4HAPOBEC3G | |
| Hydrochloric Acid SCHEMBL3748847 | 0.80 | ALDH1A1 (0.59) | HDAC8PABPC1APOBEC3AEIF4HAPOBEC3G | |
| Iodide SCHEMBL18740643 | 0.78 | HDAC8 (0.42) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Fluoride Ion SCHEMBL18740632 | 0.78 | HDAC8 (0.42) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| SCHEMBL1940232 | 0.77 | ALDH1A1 (0.61) | HDAC8SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL18740642 | 0.76 | SLC22A2 (0.39) | HDAC8PABPC1EIF4HSLC22A2SLC22A1 | |
| SCHEMBL17327854 | 0.76 | ALDH1A1 (0.50) | HDAC8MEN1ALDH1A1MAPTGFER |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017065702-A1 | METHOD OF SYNTHESIZING AND IDENTIFICATION OF THE NEW COMPONENT 4,4'-AZANEDIYLBIS(1-METHYLPYRIDINIUM) CHLORIDE 4,4',4''- NITRILOTRIS-(1-METHYLPYRIDINIUM) CHLORIDE AND ITS DERIVATIVE HERBICIDAL EFFECTS | DECHDAMRONGWUT, Dujdao (TH) | 2017-04-20 | — | — | WO | disclosed |